Identification

PhytoHub ID
PHUB001004
Name
p-mentha-1,8-dien-carboxylic-acid
Synonyms
  • Perillic acid isomer
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
2-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid
InChI Key
ZUCQJOQBPVWZQK-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,9H,2,4-6H2,1H3,(H,11,12)
SMILES
CC1=CCC(CC1)C(=C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.55e+00 g/l
LogS (ALOGPS)
-2.03
LogP (ALOGPS)
2.59
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
48.197500000000005
Polarizability
18.587667367185915
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.993349811158085
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Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene p-mentha-1,8-dien-carboxylic-acidhuman ratplasmaC10H14O2166.099379691 Publications
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