3,7,11-Trimethyl-1,3,6,10-dodecatetraene

HCID 442368

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Basic information

CAS: 125037-13-0
Standard SMILES: C=CC(C)=CCC=C(C)CCC=C(C)C
InChIKey: CXENHBSYCFFKJS-UHFFFAOYSA-N
Molecular formula: C15H24
Average molar mass: 204.35 g/mol
Monoisotopic mass: 204.18780077

Overview

See also: Farnesene (annotation moved to).

Names & identifiers

Preferred name: 3,7,11-Trimethyl-1,3,6,10-dodecatetraene
IUPAC: 3,7,11-trimethyldodeca-1,3,6,10-tetraene
English name: (E,Z)-alpha-farnesene
Molecular formula: C15H24
Molecular weight: 204.35

Names & synonyms

125037-13-0DTXSID10472353,7,11-Trimethyl-1,3,6,10-dodecatetraeneRefChem:487646DTXCID902723525037-13-03,7,11-trimethyldodeca-1,3,6,10-tetraeneFarnesene - mixed isomers2,6,10-Trimethyl-2,6,9,11-dodecatetraene(E)-alpha-FarneseneSCHEMBL83663SCHEMBL11656468

Show more names

(E/Z)-Farnesene(E,Z)-alpha-farnesenealpha-farnesene isomer

97885-54-6NS000799592,6,10-trimethyl 2,6,9,11-dodecatetraeneQ27119779

Database identifiers

CAS: 125037-13-0
PubChem CID: 442368
DTXSID: DTXSID1047235

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 270

Physicochemical properties

Boiling point: 279.6 · 279.6±20.0 °C(Predicted)
Density: 0.812 · 0.812±0.06 g/cm3(Predicted)
FEMA: 3839 · 3839 | ALPHA-FARNESENE
solubility: DMF: miscible; DMSO: miscible; Ethanol: miscible
form: A neat oil
color: Colorless to light yellow
Odor: 100 % · at 100.00 %. citrus herbal lavender bergamot myrrh neroli green
Odor Type: woody
JECFA Number: 1343 · 1343

Safety & regulation

Hazard information

Regulatory InformationChemical: 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-

Chemistry & industry

Applications

UsesFarnesene (mixture of isomers) is a farnesene with mixture of isomers. Farnesene is a herbivore-induced plant volatile (HIPV). Farnesene has an important effect on insect resistance in many plant species[1].