beta-Farnesene

beta-Farnesene
Compound Structure:
Synonyms: 18794-84-8;trans-beta-Farnesene;(E)-beta-farnesene;BETA-FARNESENE;(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene;7,11-Dimethyl-3-methylenedodeca-1,6,10-triene;1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-;.beta.-Farnesene
Compound ID: NMPC-663
PubChem ID:

5281517
Molecular Formula: C15H24
Canonical SMILES: CC(=CCCC(=CCCC(=C)C=C)C)C
InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N
About the compound:

Trans-beta-farnesene is a beta-farnesene in which the double bond at position 6-7 has E configuration. It is the major or sole alarm pheromone in most species of aphid. It has a role as an alarm pheromone and a metabolite.

GHS Hazard Statements

• H304 (97.79%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H315 (25.44%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (23.23%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

6.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

7

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

260

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Monodora myristica
Monodora tenuifolia
Ocimum basilicum
Solenostemon monostachyus
Zingiber officinale
Hyparrhenia rufa
Tagetes erecta
Acalypha segetalis
Centratherum punctatum
Morinda lucida
Murraya Koenigii
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