Identification

PhytoHub ID
PHUB001015
Name
Menthane-3,8-diol (p-)
Synonyms
  • 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CAS Number
Not Available
Average Mass
172.268
Monoisotopic Mass
172.146329884
Chemical Formula
C10H20O2
IUPAC Name
p-menthane-3,8-diol
InChI Key
LMXFTMYMHGYJEI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
SMILES
CC1CCC(C(O)C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
1.06e+01 g/l
LogS (ALOGPS)
-1.21
LogP (ALOGPS)
1.88
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
49.18259999999999
Polarizability
20.414874481242066
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.8041647266131493
pKa (strongest acidic)
14.614339722218403
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MentholTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
MentholPeppermintHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Menthol Menthane-3,8-diol (p-)raturineC10H20O2172.146329884 Publications
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