Identification

PhytoHub ID
PHUB000121
Name
Farnesol
Synonyms
  • 3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CAS Number
Not Available
Average Mass
222.372
Monoisotopic Mass
222.198365457
Chemical Formula
C15H26O
IUPAC Name
farnesol
InChI Key
CRDAMVZIKSXKFV-UHFFFAOYSA-N
InChI Identifier
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
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCO
Structure

Calculated Properties

Solubility (ALOGPS)
5.87e-02 g/l
LogS (ALOGPS)
-3.58
LogP (ALOGPS)
4.84
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
7
Polar Surface Area
20.23
Refractivity
74.9847
Polarizability
28.69718933151178
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.2170474067294528
pKa (strongest acidic)
16.33002421872553
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP008387MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010694MassBankEI-B Spectrum - -, [M]+*View Spectra
PR100374MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100824MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS088101ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS088102ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS088103ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS088104ReSpectN/A Spectrum - 40, [M+H]+View Spectra

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
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