Ocimene

Ocimene
IUPAC name α: 3,7-dimethyl-1,3,7-octatriene β: 3,7-dimethyl-1,3,6-octatriene
Identifiers
CAS number	502-99-8 Y, (α) cis-β: [3338-55-4] trans-β: [3779-61-1]
PubChem	5320249
ChemSpider	4478389 Y
Jmol-3D images	Image 1
SMILES C=C\C(=C\CCC(=C)C)C
InChI InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+ Y Key: XJPBRODHZKDRCB-CSKARUKUSA-N Y InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+ Key: XJPBRODHZKDRCB-CSKARUKUBE
Properties
Molecular formula	C10H16[1]
Molar mass	136.24 g/mol
Density	0.800 g/cm3
Melting point	50 °C
Boiling point	mix of isomers: 100 °C at 70 mmHg
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Ocimene refers to several isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. α-Ocimene and the two β-ocimenes differ in the position of the isolated double bond: it is terminal in the alpha isomer. α-Ocimene is 3,7-dimethyl-1,3,7-octatriene. β-Ocimene is 3,7-dimethyl-1,3,6-octatriene. β-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture, as well as the pure compounds, are oils with a pleasant odor. They are used in perfumery. Like the related acyclic terpene myrcene, ocimenes are unstable in air.^[2] Like other terpenes, the ocimens are nearly insoluble in water, but soluble in common organic solvents.

References