Identification

PhytoHub ID
PHUB000965
Name
Cymen-8-ol (m-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
2-(3-methylphenyl)propan-2-ol
InChI Key
NARIBLVZTLPQJB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3
SMILES
CC1=CC=CC(=C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
1.32e+00 g/l
LogS (ALOGPS)
-2.06
LogP (ALOGPS)
2.52
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
46.9721
Polarizability
17.73437742195953
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9629391610187037
pKa (strongest acidic)
14.624739000871735
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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

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carene Cymen-8-ol (m-)rabbiturine (minor)C10H14O150.104465071 Publications
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