Humulene

It07:Humulene

General
Systematic name	(1E,4E,8E)-2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene
Other names	2,6,6,9-Tetramethyl-cycloundeca-1t,4t,8t-trien, humulene, α-humulene, α-caryophyllene
Molecular formula	C₁₅H₂₄
SMILES	CC1(C)/C=C/C/C(C=C/CC/C(C)=C/C1
Molar mass	204.35 g/mol
Appearance	Oil
CAS number	6753-98-6
Properties
Density & phase	0.8865 g/ml
Solubility in water	Insoluble in water
Melting point	450 - 451 K
Boiling point	123 K (at 10 Torr)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

Structure
Molecular shape	{{{MolShape}}}
Coordination geometry	{{{Coordination}}}
Crystal structure	{{{CrystalStruct}}}
Dipole moment	{{{Dipole}}} D

Humulene 3D Structure

Humulene

General

Humulene is a naturally occurring sesquiterpene of many essential oils such as hops (Humulus lupulus) and cloves (Syzygium aromaticum). It is often found in nature as a mixture with its isomers, β-caryophyllene and isocaryophyllene.

References

http://ccd.chemnetbase.com/entry.do?id=JZV54&method=view#JZV54

Beilstein Crossfire Database