Identification

PhytoHub ID
PHUB000964
Name
m-mentha-4,6-dien-8-ol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
InChI Key
RVGIOKDRILNWNO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,7,11H,4,6H2,1-3H3
SMILES
CC1=CCCC(=C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
2.65e+00 g/l
LogS (ALOGPS)
-1.76
LogP (ALOGPS)
2.62
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
49.2349
Polarizability
18.3480018429178
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.2377164981141018
pKa (strongest acidic)
18.569006634398487
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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 m-mentha-4,6-dien-8-olrabbiturine (major)C10H16O152.120115135 Publications
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