1.0 2010-04-08 22:06:02 UTC 2025-11-18 22:54:37 UTC FDB003999 trans-Carvyl acetate Trans-carvyl acetate 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. Trans-carvyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-carvyl acetate can be found in spearmint and wild celery, which makes trans-carvyl acetate a potential biomarker for the consumption of these food products. (+-)-trans-Carvyl acetate E-Carvyl acetate trans-Carvyl acetate C12H18O2 194.2701 194.13067982 (1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate (1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate CC(=O)O[C@H]1C[C@@H](CC=C1C)C(C)=C InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12+/m1/s1 YTHRBOFHFYZBRJ-NEPJUHHUSA-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.63 ALOGPS logs -2.71 ALOGPS solubility 3.83e-01 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(=O)O[C@H]1C[C@@H](CC=C1C)C(C)=C ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12+/m1/s1 ChemAxon inchikey YTHRBOFHFYZBRJ-NEPJUHHUSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.15 ChemAxon polarizability 22.39 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95679 Specdb::MsMs 95680 Specdb::MsMs 95681 Specdb::MsMs 159993 Specdb::MsMs 159994 Specdb::MsMs 159995 Specdb::MsMs 3599756 Specdb::MsMs 3599757 Specdb::MsMs 3599758 Specdb::MsMs 3601097 Specdb::MsMs 3601098 Specdb::MsMs 3601099 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Spearmint Type 1 specific Mentha spicata 29719 2.0 3.9 0.1 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 0.1 0.1 0.1 mg/100 g