Identification

PhytoHub ID
PHUB001017
Name
Menthane (3,8-oxy-p-, 7-carboxylic acid)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
184.235
Monoisotopic Mass
184.109944375
Chemical Formula
C10H16O3
IUPAC Name
8,8-dimethyl-7-oxabicyclo[4.2.0]octane-4-carboxylic acid
InChI Key
JJEXPXIJOIGQOA-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O3/c1-10(2)7-4-3-6(9(11)12)5-8(7)13-10/h6-8H,3-5H2,1-2H3,(H,11,12)
SMILES
CC1(C)OC2CC(CCC12)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.64e+00 g/l
LogS (ALOGPS)
-1.60
LogP (ALOGPS)
1.81
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
46.53
Refractivity
47.3638
Polarizability
20.313618044686564
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.189646733687148
pKa (strongest acidic)
4.565439804085872
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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

PrecursorMetaboliteSpeciesBiofluids
Menthol Menthane (3,8-oxy-p-, 7-carboxylic acid)raturine Publications
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