Identification

PhytoHub ID
PHUB000053
Name
Linalool (8-hydroxydihydro-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
172.268
Monoisotopic Mass
172.146329884
Chemical Formula
C10H20O2
IUPAC Name
2,6-dimethyloct-7-ene-1,6-diol
InChI Key
GFOMTORUAWAGGU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H20O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,9,11-12H,1,5-8H2,2-3H3
SMILES
[H]OCC(C)CCCC(C)(O[H])C=C
Structure

Calculated Properties

Solubility (ALOGPS)
2.62e+00 g/l
LogS (ALOGPS)
-1.82
LogP (ALOGPS)
1.98
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
6
Polar Surface Area
40.46
Refractivity
51.208299999999994
Polarizability
20.818284553817396
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.1942132894570818
pKa (strongest acidic)
17.418322395425836
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

Back