1.0 2010-04-08 22:06:57 UTC 2019-11-26 03:00:56 UTC FDB006040 (+)-8-Acetoxycarvone (+)-8-acetoxycarvone is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (+)-8-acetoxycarvone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-8-acetoxycarvone can be found in cornmint, which makes (+)-8-acetoxycarvone a potential biomarker for the consumption of this food product. C12H16O3 208.2536 208.109944378 (1R)-4-methyl-5-oxo-1-(prop-1-en-2-yl)cyclohex-3-en-1-yl acetate (1R)-4-methyl-5-oxo-1-(prop-1-en-2-yl)cyclohex-3-en-1-yl acetate CC(=O)O[C@@]1(CC=C(C)C(=O)C1)C(C)=C InChI=1S/C12H16O3/c1-8(2)12(15-10(4)13)6-5-9(3)11(14)7-12/h5H,1,6-7H2,2-4H3/t12-/m1/s1 GEACSAQGZQDKCB-GFCCVEGCSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carboxylic acid esters Cyclohexenones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 1.79 ALOGPS logs -2.46 ALOGPS solubility 7.24e-01 g/l ALOGPS logp 1.99 ChemAxon pka_strongest_acidic 18.74 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (1R)-4-methyl-5-oxo-1-(prop-1-en-2-yl)cyclohex-3-en-1-yl acetate ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles CC(=O)O[C@@]1(CC=C(C)C(=O)C1)C(C)=C ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-8(2)12(15-10(4)13)6-5-9(3)11(14)7-12/h5H,1,6-7H2,2-4H3/t12-/m1/s1 ChemAxon inchikey GEACSAQGZQDKCB-GFCCVEGCSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 57.7 ChemAxon polarizability 22.16 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85896 Specdb::MsMs 85897 Specdb::MsMs 85898 Specdb::MsMs 148080 Specdb::MsMs 148081 Specdb::MsMs 148082 Specdb::MsMs 3602459 Specdb::MsMs 3602460 Specdb::MsMs 3602461 Specdb::MsMs 3602462 Specdb::MsMs 3602463 Specdb::MsMs 3602464 Cornmint Type 1 specific Mentha arvensis 292239