Identification

PhytoHub ID
PHUB001020
Name
Menthane (3-hydroxy-p-, 9-carboxylic acid)
Synonyms
  • 3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
CAS Number
Not Available
Average Mass
200.278
Monoisotopic Mass
200.141244504
Chemical Formula
C11H20O3
IUPAC Name
3-(2-hydroxy-4-methylcyclohexyl)butanoic acid
InChI Key
RZDAUSHWMAGQJS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H20O3/c1-7-3-4-9(10(12)5-7)8(2)6-11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)
SMILES
CC(CC(O)=O)C1CCC(C)CC1O
Structure

Calculated Properties

Solubility (ALOGPS)
2.97e+00 g/l
LogS (ALOGPS)
-1.83
LogP (ALOGPS)
1.87
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
57.53
Refractivity
53.71169999999999
Polarizability
22.43800202865293
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-0.7851752851873924
pKa (strongest acidic)
4.8534575508423154
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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-hydroxy-p-, 9-carboxylic acid)raturineC11H20O3200.141244504 Publications
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