ChemWiki - User contributions [en]

It07:salicylic acid

2007-11-01T12:04:30Z

Yy1106:

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]] [[Image:Aspirin.jpg ]]

The 3D model of aspirin is
[[Image:Aspirin_3D.jpg]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.[[http://skincarerx.com/salicylic-acid.html]]

==Potential Health Effects==

{| border="1"
|+
== Different Effects ==

! '''Types of Effects''' !! Illustration
|-
! Inhalation
| Inhalation of dust may cause irritation due to its acidic character. Coughing, sneezing, and shortness of breath may occur.
|-
! Ingestion
| Ingestion of sizable amounts can cause "salicylism", as evidenced by abdominal pain, vomiting, increased respiration, and mental disturbances. Fatalities resulting from respiratory or cardiovascular failure are known. Mean lethal adult dose of salicylates is between 20 and 30 grams.
|-
! Skin Contact
| Mild irritant, may cause skin rash in sensitive individuals. Absorption of large amounts may produce symptoms paralleling ingestion exposure.
|-
! Eye Contact
| Severe irritant by animal testing.
|-
! Chronic Exposure
| Central nervous system disturbances such as rapid breathing, confusion and even convulsions may develop. Kidneys and pancreas can be affected by prolonged ingestion.
|-
! Aggravation of Pre-existing Conditions
| Persons with pre-existing skin disorders or eye problems or impaired kidney function may be more susceptible to the effects of the substance.
|} [[http://www.jtbaker.com/msds/englishhtml/S0506.htm]]

==First Aid Measures==

{| border="1"
|+
! Effects !! Aid Instruction
|-
! Inhalation
| Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. ||
|-
! Ingestion
| Induce vomiting immediately as directed by medical personnel. Never give anything by mouth to an unconscious person. Get medical attention.
|-
! Skin Contact
| Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention if symptoms occur.
|-
! Eye Contact
| Immediately flush eyes with plenty of water for at least 15 minutes, lifting lower and upper eyelids occasionally. Get medical attention immediately.
|}

==Spectroscopy Data==
IR SPectroscopy

[[Image:Salicylic_acid.jpg]]

Mass Spectroscopy

[[Image:Salicylic_acid_mass_spec.JPG]]

==Referenes==
1. http://skincarerx.com/salicylic-acid.html

2. http://www.jtbaker.com/msds/englishhtml/S0506.htm

File:Aspirin 3D.jpg

2007-11-01T12:03:25Z

Yy1106:

File:Aspirin.jpg

2007-11-01T12:00:59Z

Yy1106:

File:Salicylic acid mass spec.JPG

2007-11-01T11:47:31Z

Yy1106:

File:Salicylic acid.jpg

2007-11-01T11:39:11Z

Yy1106:

File:Salicylic acid IR.bmp

2007-11-01T11:38:45Z

Yy1106:

It07:salicylic acid

2007-11-01T11:37:37Z

Yy1106:

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.[[http://skincarerx.com/salicylic-acid.html]]

==Potential Health Effects==

{| border="1"
|+
== Different Effects ==

! '''Types of Effects''' !! Illustration
|-
! Inhalation
| Inhalation of dust may cause irritation due to its acidic character. Coughing, sneezing, and shortness of breath may occur.
|-
! Ingestion
| Ingestion of sizable amounts can cause "salicylism", as evidenced by abdominal pain, vomiting, increased respiration, and mental disturbances. Fatalities resulting from respiratory or cardiovascular failure are known. Mean lethal adult dose of salicylates is between 20 and 30 grams.
|-
! Skin Contact
| Mild irritant, may cause skin rash in sensitive individuals. Absorption of large amounts may produce symptoms paralleling ingestion exposure.
|-
! Eye Contact
| Severe irritant by animal testing.
|-
! Chronic Exposure
| Central nervous system disturbances such as rapid breathing, confusion and even convulsions may develop. Kidneys and pancreas can be affected by prolonged ingestion.
|-
! Aggravation of Pre-existing Conditions
| Persons with pre-existing skin disorders or eye problems or impaired kidney function may be more susceptible to the effects of the substance.
|} [[http://www.jtbaker.com/msds/englishhtml/S0506.htm]]

==First Aid Measures==

{| border="1"
|+
! Effects !! Aid Instruction
|-
! Inhalation
| Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. ||
|-
! Ingestion
| Induce vomiting immediately as directed by medical personnel. Never give anything by mouth to an unconscious person. Get medical attention.
|-
! Skin Contact
| Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention if symptoms occur.
|-
! Eye Contact
| Immediately flush eyes with plenty of water for at least 15 minutes, lifting lower and upper eyelids occasionally. Get medical attention immediately.
|}

It07:salicylic acid

2007-11-01T11:29:09Z

Yy1106: /* Usage */

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.[[http://skincarerx.com/salicylic-acid.html]]

==Potential Health Effects==

{| border="1"
|+
== Different Effects ==

! '''Types of Effects''' !! Illustration
|-
! Inhalation
| Inhalation of dust may cause irritation due to its acidic character. Coughing, sneezing, and shortness of breath may occur.
|-
! Ingestion
| Ingestion of sizable amounts can cause "salicylism", as evidenced by abdominal pain, vomiting, increased respiration, and mental disturbances. Fatalities resulting from respiratory or cardiovascular failure are known. Mean lethal adult dose of salicylates is between 20 and 30 grams.
|-
! Skin Contact
| Mild irritant, may cause skin rash in sensitive individuals. Absorption of large amounts may produce symptoms paralleling ingestion exposure.
|-
! Eye Contact
| Severe irritant by animal testing.
|-
! Chronic Exposure
| Central nervous system disturbances such as rapid breathing, confusion and even convulsions may develop. Kidneys and pancreas can be affected by prolonged ingestion.
|-
! Aggravation of Pre-existing Conditions
| Persons with pre-existing skin disorders or eye problems or impaired kidney function may be more susceptible to the effects of the substance.
|} [[http://www.jtbaker.com/msds/englishhtml/S0506.htm]]

It07:salicylic acid

2007-11-01T11:26:58Z

Yy1106: /* Safety */

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.[[http://skincarerx.com/salicylic-acid.html]]

==Potential Health Effects==[[http://www.jtbaker.com/msds/englishhtml/S0506.htm]]
{| border="1"
|+ Different Effects
! Types of Effects !! Illustration
|-
! Inhalation
| Inhalation of dust may cause irritation due to its acidic character. Coughing, sneezing, and shortness of breath may occur.
|-
! Ingestion
| Ingestion of sizable amounts can cause "salicylism", as evidenced by abdominal pain, vomiting, increased respiration, and mental disturbances. Fatalities resulting from respiratory or cardiovascular failure are known. Mean lethal adult dose of salicylates is between 20 and 30 grams.
|-
! Skin Contact
| Mild irritant, may cause skin rash in sensitive individuals. Absorption of large amounts may produce symptoms paralleling ingestion exposure.
|-
! Eye Contact
| Severe irritant by animal testing.
|-
! Chronic Exposure
| Central nervous system disturbances such as rapid breathing, confusion and even convulsions may develop. Kidneys and pancreas can be affected by prolonged ingestion.
|-
! Aggravation of Pre-existing Conditions
| Persons with pre-existing skin disorders or eye problems or impaired kidney function may be more susceptible to the effects of the substance.
|}

It07:salicylic acid

2007-11-01T11:18:40Z

Yy1106: /* Usage */

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.[[http://skincarerx.com/salicylic-acid.html]]

==Safety==
Salicylic acid has an irritating property, it may cause redness to the skin exposed. If so, wash the affected skin with water and soap. Wearing gloves can prevent.
If there is an eye contact, firstly rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.
Salicylic acid is toxic in large amounts. Pregnant women are advised not to use products containing salicylic acid due to the danger of Reye's syndrome.

It07:salicylic acid

2007-11-01T11:17:52Z

Yy1106: /* Usage */

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

[[Image:Salicylic.jpg]]
Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.

==Safety==
Salicylic acid has an irritating property, it may cause redness to the skin exposed. If so, wash the affected skin with water and soap. Wearing gloves can prevent.
If there is an eye contact, firstly rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.
Salicylic acid is toxic in large amounts. Pregnant women are advised not to use products containing salicylic acid due to the danger of Reye's syndrome.

File:Salicylic.jpg

2007-11-01T11:15:59Z

Yy1106:

It07:salicylic acid

2007-11-01T11:14:49Z

Yy1106: /* Usage */

==Salicylic acid==
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

Also, salicylic Acid is best on acne-prone and sensitive skin types. The pore-cleansing properties of salicylic acid make it a more effective comedone fighter. Those with sensitive skin who cannot tolerate alpha hydroxy acids may find that they are able to use salicylic acid with good results. However, alpha hydroxy acid's penetration into the deeper layers of the skin produce better anti-wrinkle and anti-aging benefits.

Look for concentrations of 1-2% in any salicylic acid product to assure on effective concentration. A 1% concentration would be better or sensitive skin types and a 2% concentration would be useful on stubborn acne.

==Safety==
Salicylic acid has an irritating property, it may cause redness to the skin exposed. If so, wash the affected skin with water and soap. Wearing gloves can prevent.
If there is an eye contact, firstly rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.
Salicylic acid is toxic in large amounts. Pregnant women are advised not to use products containing salicylic acid due to the danger of Reye's syndrome.

It07:salicylic acid

2007-10-25T14:44:11Z

Yy1106:

It07:salicylic acid

2007-10-25T14:42:56Z

Yy1106: /* Salicylic acid */

==Salicylic acid==
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 25-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 25-Oct-07 0 NONE 4
ATOM 1 O 0 2.332 1.380 -0.007 0.00 0.00 O+0
ATOM 2 C 0 1.635 0.226 0.006 0.00 0.00 C+0
ATOM 3 O 0 2.222 -0.838 0.019 0.00 0.00 O+0
ATOM 4 C 0 0.162 0.256 0.005 0.00 0.00 C+0
ATOM 5 C 0 -0.517 1.477 -0.010 0.00 0.00 C+0
ATOM 6 C 0 -1.895 1.497 -0.010 0.00 0.00 C+0
ATOM 7 C 0 -2.611 0.312 0.003 0.00 0.00 C+0
ATOM 8 C 0 -1.954 -0.902 0.018 0.00 0.00 C+0
ATOM 9 C 0 -0.567 -0.942 0.013 0.00 0.00 C+0
ATOM 10 O 0 0.080 -2.134 0.027 0.00 0.00 O+0
ATOM 11 H 0 3.299 1.361 -0.007 0.00 0.00 H+0
ATOM 12 H 0 0.037 2.404 -0.020 0.00 0.00 H+0
ATOM 13 H 0 -2.418 2.442 -0.021 0.00 0.00 H+0
ATOM 14 H 0 -3.691 0.337 0.003 0.00 0.00 H+0
ATOM 15 H 0 -2.520 -1.822 0.029 0.00 0.00 H+0
ATOM 16 H 0 0.210 -2.392 -0.896 0.00 0.00 H+0
CONECT 1 2 11 0 0 NONE 21
CONECT 2 1 3 4 0 NONE 22
CONECT 3 2 0 0 0 NONE 23
CONECT 4 2 9 5 0 NONE 24
CONECT 5 4 6 12 0 NONE 25
CONECT 6 5 7 13 0 NONE 26
CONECT 7 6 8 14 0 NONE 27
CONECT 8 7 9 15 0 NONE 28
CONECT 9 8 4 10 0 NONE 29
CONECT 10 9 16 0 0 NONE 30
END NONE 31
D</inlineContents>
</jmolApplet>
</jmol>
<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Salicylic_acid.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| 2-hydroxybenzoic acid
o-Hydroxybenzoic acid
|-
| Other names
| ortho-hydroxybenzoic acid
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C7H6O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC(=O)c1ccccc1O
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 138.123 g/mol
|-
| Appearance
| a white, crystalline solid
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 69-72-7
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.44 g/cm (at 20 °C) 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| 0.2g/100 ml (20°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 159°C 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 211°C
|-
| [[Flash point]]
| 157°C
|-
| Auto-ignition temperature
| 540°C
|-

Salicylic acid is best known chemically similar but not identical to the active component of aspirin.

==Production==
It can be synthesised from amino acid phenylalanine, illustrating as followed:

[[Image:Kolbe-Schmitt.png]]

Sodium salicylate is commercially prepared by treating sodium phenoxide with a high pressure of carbon dioxide at high temperature via the Kolbe-Schmitt reaction. Acidification of the product solution gives salicylic acid.

==Usage==
It is used to synthesise aspirin, which is used as an analgesic (to relieve minor aches and pains), antipyretic (to reduce fever), and as an anti-inflammatory. The generic steps are shown below:

[[Image:Aspirin_synthesis.png]]

Also, it is used to make anti-acne products. It works by causing the cells of the epidermis to slough off more readily, preventing pores from clogging up, and allowing room for new cell growth. Because of its effect on skin cells, salicylic acid is used in several shampoos used to treat dandruff.

==Safety==
Salicylic acid has an irritating property, it may cause redness to the skin exposed. If so, wash the affected skin with water and soap. Wearing gloves can prevent.
If there is an eye contact, firstly rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.
Salicylic acid is toxic in large amounts. Pregnant women are advised not to use products containing salicylic acid due to the danger of Reye's syndrome.

File:Aspirin synthesis.png

2007-10-25T14:30:02Z

Yy1106:

File:Kolbe-Schmitt.png

2007-10-25T14:27:33Z

Yy1106:

File:Salicylic acid.gif

2007-10-25T13:54:02Z

Yy1106:

It07:salicylic acid

2007-10-25T13:53:48Z

Yy1106: New page: ==Salicylic acid== <jmol> <jmolApplet> <size>200</size> <color>white</color> <script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script> <inlineContents>HEADER NONAME...

It:projects

2007-10-25T13:47:19Z

Yy1106: /* Supplemental Project Page */

__FORCETOC__

'''''You MUST use the Edit buttons on the right to edit this content. Do NOT use the Edit button on the top of this page.'''''
== Sandbox (Play-Pen) ==

This is an area where you can play without worrying what you do. Enter it by pressing the [Edit] button '''on the right''' and '''not''' at the top. Go here for a [http://en.wikipedia.org/wiki/Wikipedia:Cheatsheet ''cheat sheet''] summary of how to create a Wiki page. It's a free-for-all in here! Learn how to use a Wiki by coming here! PS This is how to do Greek:α, β Δ, δ
Try copying/pasting some of the [http://www.ch.ic.ac.uk/local/it/lab1.html examples in the course work] into this page. See the effect by selecting '''Show Preview'''. Do not use '''Save Page''' so as to leave this area uncluttered for others.
----
{| summary="CIT Project Titles" border="1"
|NEW: This demonstrates the use of Jmol loading discrete molecule files (rather than having to paste them into the wiki page). Upload the molecule file, and invoke it as shown here. Use it for eg loading large proteins etc.--[[User:Rzepa|Rzepa]] 16:07, 4 December 2006 (UTC) and --[[User:Rzepa|Rzepa]] 07:41, 16 October 2007 (BST) and --[[User:Rzepa|Rzepa]] 15:56, 18 October 2007 (BST)

If no rotatable molecule appears to the right, test that [http://www.java.com/en/download/help/testvm.xml Java] is correctly functioning on your system.

|<jmol>
<jmolApplet>
<title>Pentahelicene</title><color>yellow</color><size>200</size>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<uploadedFileContents>Pentahelicene.mol</uploadedFileContents>
</jmolApplet>
<jmolMenu>
<item><text>Start spinning</text><script>spin on</script></item>
<item><text>Stop spinning</text><script>spin off</script></item>
<menuHeight>-1</menuHeight>
</jmolMenu>
<jmolButton>
<script>console</script>
<text>open a console window</text>
</jmolButton>
</jmol>
<jmol><jmolAppletButton><title>Show CIYSIM.cif in popup window</title><color>cyan</color>
<uploadedFileContents>CIYSIM.cif</uploadedFileContents></jmolAppletButton>
</jmol>
|}

== Main Project Page ==
'''Please do not edit this page itself'''. Click on one of the titles to start editing.
{| summary="CIT Project Titles" border="1"
! bgcolor="cyan" |Project Number
! bgcolor="cyan" |General Keywords
|-
| bgcolor="#CCFF00" |01
| bgcolor="#CCFF00" | [[it07:Lignocaine|Lignocaine (used in dentistry as a "local")]]
|-
| bgcolor="#CCFF00" |02
| bgcolor="#66FF99" | [[it07:Piperine|Piperine (active ingredient of both black and white pepper)]]
|-
| bgcolor="#CCFF00" |03
| bgcolor="#CCFF00" | [[it07:Rapamycin|Rapamycin (prevents transplant rejection)]]
|-
| bgcolor="#CCFF00" |04
| bgcolor="#66FF99" | [[it07:Gossypol|Gossypol (male birth control)]]
|-
| bgcolor="#CCFF00" |05
| bgcolor="#CCFF00" | [[it07:Gentamycin|Gentamicin A (aminoglycoside antibiotic)]]
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| bgcolor="#CCFF00" |06
| bgcolor="#66FF99" | [[it07:Herceptin|Herceptin (topical anticancer drug)]]
|-
| bgcolor="#CCFF00" |07
| bgcolor="#CCFF00" | [[it07:Gingerone|Zingerone (the characteristic smell of ginger)]]
|-
| bgcolor="#CCFF00" |08
| bgcolor="#66FF99" | [[it07:Sucralose|Sucralose (non-metabolizable sweetening agent)]]
|-
| bgcolor="#CCFF00" |09
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It07:Gingerone

2007-10-25T13:39:03Z

Yy1106: /* Zingerone */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process.

“Zinger” is ostensibly from the ineffable zest associated with ginger. “-one” is the suffix associated with the functional group known as a ketone.

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

===Zingerone as a medicine===
Ginger has been regarded as one of traditional methods for curing colds. Nowadays for medicine, it has been developed and used to treated various medical problems. Zingerone reacts with free radicals that can cause tissue damage and inflammation.At Case Western University, research has been done showing that a topically applied extract containing zingerone may help prevent some skin cancers. In capsule form, ginger can also be used to replace anti-inflammatory drugs. In a recent study, ginger was found to be more effective than drugs in the treatment of nausea and motion sickness. Zingerone also has a major role in lipid oxidation since it is an anti-oxidant. It weakly inhibits oxidation of phospholipid liposomes in the presence of iron (III) and ascorbate to prevent heart-attacks.[http://www.ch.ic.ac.uk/local/projects/IyerWebsite5/Introduction.html]

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:zingerone.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}

File:Zingerone.PDB

2007-10-25T13:19:59Z

Yy1106:

It07:Gingerone

2007-10-22T16:02:58Z

Yy1106: /* Zingerone as an antioxidant */

It07:Gingerone

2007-10-22T15:35:19Z

Yy1106:

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process.

“Zinger” is ostensibly from the ineffable zest associated with ginger. “-one” is the suffix associated with the functional group known as a ketone.

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:zingerone.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}

It07:Gingerone

2007-10-22T15:29:49Z

Yy1106: /* Zingerone as an antioxidant */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process.

“Zinger” is ostensibly from the ineffable zest associated with ginger. “-one” is the suffix associated with the functional group known as a ketone.

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:zingerone.gif]]
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| [[Chemical Structure]]
|
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}
[[Image:<math>Example.jpg</math>]]
[[Link title]]

It07:Gingerone

2007-10-22T15:28:54Z

Yy1106: /* Zingerone as an antioxidant */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process.

“Zinger” is ostensibly from the ineffable zest associated with ginger. “-one” is the suffix associated with the functional group known as a ketone.

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:zingerone.gif|200px|{{PAGENAME}}]] 
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| [[Chemical Structure]]
|
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}
[[Image:<math>Example.jpg</math>]]
[[Link title]]

File:Zingerone.gif

2007-10-22T15:13:24Z

Yy1106:

It07:Gingerone

2007-10-22T15:12:54Z

Yy1106: /* Zingerone */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process.

“Zinger” is ostensibly from the ineffable zest associated with ginger. “-one” is the suffix associated with the functional group known as a ketone.

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:{{PAGENAME}}.jpg|200px|{{PAGENAME}}]] 
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| [[Chemical Structure]]
|
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}
[[Image:<math>Example.jpg</math>]]
[[Link title]]

It07:Gingerone

2007-10-22T15:10:38Z

Yy1106: /* Zingerone as an antioxidant */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:{{PAGENAME}}.jpg|200px|{{PAGENAME}}]] 
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| [[Chemical Structure]]
|
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg
290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}
[[Image:<math>Example.jpg</math>]]
[[Link title]]

It07:Gingerone

2007-10-22T14:17:02Z

Yy1106: /* Zingerone as an antioxidant */

==Zingerone==

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 18-Oct-07 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 18-Oct-07 0 NONE 4
ATOM 1 O 0 3.909 -1.039 -0.489 0.00 0.00 O+0
ATOM 2 C 0 2.599 -0.845 -0.181 0.00 0.00 C+0
ATOM 3 C 0 2.106 0.445 -0.009 0.00 0.00 C+0
ATOM 4 O 0 2.934 1.515 -0.149 0.00 0.00 O+0
ATOM 5 C 0 2.143 2.682 0.086 0.00 0.00 C+0
ATOM 6 C 0 0.770 0.636 0.305 0.00 0.00 C+0
ATOM 7 C 0 -0.070 -0.452 0.446 0.00 0.00 C+0
ATOM 8 C 0 -1.523 -0.242 0.787 0.00 0.00 C+0
ATOM 9 C 0 -2.335 -0.105 -0.502 0.00 0.00 C+0
ATOM 10 C 0 -3.788 0.105 -0.161 0.00 0.00 C+0
ATOM 11 C 0 -4.804 0.269 -1.261 0.00 0.00 C+0
ATOM 12 O 0 -4.137 0.142 0.995 0.00 0.00 O+0
ATOM 13 C 0 0.419 -1.734 0.275 0.00 0.00 C+0
ATOM 14 C 0 1.750 -1.932 -0.044 0.00 0.00 C+0
ATOM 15 H 0 4.384 -1.120 0.349 0.00 0.00 H+0
ATOM 16 H 0 1.331 2.723 -0.641 0.00 0.00 H+0
ATOM 17 H 0 1.728 2.643 1.093 0.00 0.00 H+0
ATOM 18 H 0 2.767 3.570 -0.016 0.00 0.00 H+0
ATOM 19 H 0 0.385 1.637 0.439 0.00 0.00 H+0
ATOM 20 H 0 -1.889 -1.094 1.359 0.00 0.00 H+0
ATOM 21 H 0 -1.629 0.666 1.381 0.00 0.00 H+0
ATOM 22 H 0 -1.969 0.747 -1.074 0.00 0.00 H+0
ATOM 23 H 0 -2.229 -1.013 -1.096 0.00 0.00 H+0
ATOM 24 H 0 -4.306 0.208 -2.228 0.00 0.00 H+0
ATOM 25 H 0 -5.551 -0.521 -1.186 0.00 0.00 H+0
ATOM 26 H 0 -5.291 1.240 -1.164 0.00 0.00 H+0
ATOM 27 H 0 -0.240 -2.582 0.386 0.00 0.00 H+0
ATOM 28 H 0 2.130 -2.934 -0.178 0.00 0.00 H+0
CONECT 1 2 15 0 0 NONE 33
CONECT 2 1 14 3 0 NONE 34
CONECT 3 2 4 6 0 NONE 35
CONECT 4 3 5 0 0 NONE 36
CONECT 5 4 16 17 18 NONE 37
CONECT 6 3 7 19 0 NONE 38
CONECT 7 6 8 13 0 NONE 39
CONECT 8 7 9 20 21 NONE 40
CONECT 9 8 10 22 23 NONE 41
CONECT 10 9 11 12 0 NONE 42
CONECT 11 10 24 25 26 NONE 43
CONECT 12 10 0 0 0 NONE 44
CONECT 13 7 14 27 0 NONE 45
CONECT 14 13 2 28 0 NONE 46
END NONE 47
M END</inlineContents>
</jmolApplet>
</jmol>

Zingerone''(4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)'' is a natural molecule best known for providing the hot flavour of the spice ginger. The compound is not present in raw ginger, but is converted from the compound gingerol ((S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3-decanone) during the cooking process

===Zingerone as an antioxidant===
Zingerone can act as an antioxidant against peroxynitrile. This is of interest because peroxynitrile in the human body can cross cell membranes to react with the lipids, DNA and proteins of the cell, ultimately causing cell death.

<noinclude>

</noinclude>{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse; width: 280px"
! {{chembox header}} | {{PAGENAME}} 
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:{{PAGENAME}}.jpg|200px|{{PAGENAME}}]] 
|-
! {{chembox header}} | General
|-
| [http://en.wikipedia.org/wiki/IUPAC Systematic name]
| (4-(4'-hydroxy-3'-methoxyphenyl)-2-butanone)

|-
| Other names
| ginger ketone, gingerone, 4-hydroxy-3-methoxybenzyl acetone, 2-(4-hydroxy-3-methoxyphenyl ethyl) methyl ketone, 4-(4-hydroxy-3-methoxyphenyl) butan-2-one, (4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 2-(4-hydroxy-3-methoxyphenyl) ethyl methyl ketone, 4-(4-hydroxy-3-methoxyphenyl)-2-butanone, 4-hydroxy-3-methyoxyphenyl ethyl methyl ketone, 3-methoxy-4-hydroxybenzyl acetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 1-(3-methoxy-4-hydroxyphenyl)-3-butanone, vanillyl acetone, zingherone, zingiberon
|-
| [http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| C11H14O3
|-
| [http://en.wikipedia.org/wiki/Chemical_file_format SMILES] 
| OC1=C(OC)C=C(CCC(C)=O)C=C1
|-
| [http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| 194.23g
|-
| Appearance
| yellow to yellow brown crystals
|-
| [http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| 122-48-5
|-
! {{chembox header}} | Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] & [http://en.wikipedia.org/wiki/Phase_%28matter%29 phase]
| 1.111 ± 0.06g/cm³ 
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility in water]
| {{{Sol_Water}}} g/100 ml (25°C) 
|-



| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| 40.00 - 41.00 °C. @ 760.00 mm Hg 
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| 141.00 - 0.50 °C. @ 0.00 mm Hg and 290.00 °C. @ 760.00 mm Hg
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Acidity] (p''K''a) 
| {{{pKa}}}
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K''b) 
| {{{pKb}}}
|-
| [http://en.wikipedia.org/wiki/Specific_rotation Chiral rotation <nowiki>[α]</nowiki>D] 
| {{{Rotation}}}°
|-
| [http://en.wikipedia.org/wiki/Viscosity Viscosity]
| {{{Viscosity}}} [[Poise|cP]] at 25°C 
|-
! {{chembox header}} | Structure
|-
| [http://en.wikipedia.org/wiki/Orbital_hybridisation Molecular shape] 
| {{{Mol_Shape}}} 
|-
| [http://en.wikipedia.org/wiki/Coordination_geometry Coordination geometry] 
| {{{Coordination}}} 
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| {{{Crystal_Structure}}} 
|-
| [[Dipole#Molecular_dipoles|Dipole moment]]
| {{{DM}}} [[Debye|D]]
|-
! {{chembox header}} | Hazards 
|-
| [[Material safety data sheet|MSDS]]
| [[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [[Worker safety and health|hazard]]s
| {{{Hazards}}} 
|-
| [[NFPA 704]]
| {{{NFPA}}}
|-
| [[Flash point]]
| {{{Fp}}}°C
|-
| [[Risk and Safety Statements|R/S statement]]
| [[List of R-phrases|R]]: {{{R-S}}} [[List of S-phrases|S]]: ?
|-
| [[RTECS]] number
| {{{RTECS}}}
|-
! {{chembox header}} | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| [[{{PAGENAME}} (data page)#Structure and properties|Structure and properties]]
| [http://en.wikipedia.org/wiki/Refractive_index ''n''], [http://en.wikipedia.org/wiki/Dielectric_constant εr], etc.
|-
| [[{{PAGENAME}} (data page)#Thermodynamic properties|Thermodynamic data]]
| Phase behaviour Solid, liquid, gas
|-
| [[{{PAGENAME}} (data page)#Spectral data|Spectral data]]
| [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} | Related compounds
|-
| Other [[Ion|anion]]s 
| {{{Other_anion}}} 
|-
| Other [[Ion|cation]]s 
| {{{Ohter_cation}}} 
|-
| Related compounds

| {{{Relative_Compounds}}}
|-
| {{chembox header}} | Except where noted otherwise, data are given for materials in their [[standard state|standard state (at 25 °C, 100 kPa)]] [[wikipedia:Chemical infobox|Infobox disclaimer and references]]
|-
|}
{{Chem-Data_Structure}}