Farnesol

C₁₅H₂₆OCAS 106-28-5222.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₆O
Molar mass: 222.37 g/mol
Exact mass: 222.1984 Da
Density: 0.884–0.889 g/mL
Melting point: 61–63 °C
Water solubility: insoluble
logP: 4.40Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7
Double bonds: E, EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation99.3% of notifiers
H317 May cause an allergic skin reaction83.4% of notifiers
H319 Causes serious eye irritation87.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 1,980 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

106-28-5

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CO

InChIKey

CRDAMVZIKSXKFV-YFVJMOTDSA-N

InChI

InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

21 names · show all

trans-Farnesol
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6E)-
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)-
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(farnesol)
(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
trans-2,trans-6-Farnesol
Trans,trans-Farnesol
2,6-Di-trans-farnesol
2,6-Trans,trans-Farnesol
Inhibitor A2
2-Trans,6-trans-Farnesol
3,7,11-Trimethyldodeca-2-trans,6-trans,10-trien-1-ol
(2E,6E)-Farnesol
All-trans-Farnesol
(t,t)-Farnesol
(E,E)-Farnesol
All-E-Farnesol
(E)-β-Farnesol
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
(E,E)-Farnesyl alcohol
trans-1-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatriene

Work with Farnesol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Farnesol4602-84-0Stereo not defined

Similar compounds

Solanesol13190-97-1100 % similar Geranylgeraniol24034-73-9100 % similar Geraniol106-24-196 % similar Nerol106-25-296 % similar Squalene111-02-472 % similar Squalene7683-64-972 % similar Farnesylacetone1117-52-858 % similar Geranylacetone3796-70-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bisabolol23089-26-1 trans-Nerolidol40716-66-3 Beta-Eudesmol473-15-4 Guaiol489-86-1 Bisabolol515-69-5 Patchoulol5986-55-0 Nerolidol7212-44-4

Elsewhere

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