Identification

PhytoHub ID
PHUB000966
Name
3-Carene-9-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
[(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-en-7-yl]methanol
InChI Key
YPFHKSCCUJXMAG-ZDGBYWQASA-N
InChI Identifier
InChI=1S/C10H16O/c1-7-3-4-8-9(5-7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9+,10?/m1/s1
SMILES
CC1=CC[C@@H]2[C@H](C1)C2(C)CO
Structure

Calculated Properties

Solubility (ALOGPS)
1.97e+00 g/l
LogS (ALOGPS)
-1.89
LogP (ALOGPS)
1.90
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
46.497
Polarizability
18.189270168044562
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.411801871777091
pKa (strongest acidic)
18.17100623736376
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Precursor Taxonomy

PrecursorFamilyClassSub-class
CareneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
CareneGrape wineBeverages, Alcoholic PublicationsShow
CareneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
CarenePepperHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Carene 3-Carene-9-olrabbiturine Publications
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