1.0 2010-04-08 22:14:41 UTC 2019-11-26 03:18:08 UTC FDB019941 (-)-Isopulegol acetate Flavouring agent. (-)-Isopulegol acetate is found in peppermint. (-)-Isopulegol acetate (1R,3R,4S)-(-)-p-Menth-8-en-3-ol acetate 1-Methyl-4-isopropenylcyclohexan-3-yl acetate 2-Isopropenyl-5-methylcyclohexyl acetate 5-Methyl-2-(1-methylethenyl)cyclohexanol acetate Cyclohexanol, 5-methyl-2-(1-methylethenyl), acetate FEMA 2965 Isopropenylcyclohexan-3-ol acetate Isopulegol acetate Isopulegolacetate Isopulegyl acetate p-Menth-8-en-3-yl acetate C12H20O2 196.286 196.146329884 (1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate (1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate 89-49-6 C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1 HLHIVJRLODSUCI-ADEWGFFLSA-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 3.49 ALOGPS logs -3.14 ALOGPS solubility 1.41e-01 g/l ALOGPS logp 2.76 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1 ChemAxon inchikey HLHIVJRLODSUCI-ADEWGFFLSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.37 ChemAxon polarizability 22.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8813 Specdb::MsIr 8814 Specdb::CMs 21947 Specdb::CMs 28157 Specdb::CMs 28158 Specdb::CMs 102086 Specdb::CMs 102087 Specdb::CMs 160734 Specdb::MsMs 314761 Specdb::MsMs 314762 Specdb::MsMs 314763 Specdb::MsMs 360571 Specdb::MsMs 360572 Specdb::MsMs 360573 Specdb::MsMs 2843370 Specdb::MsMs 2843371 Specdb::MsMs 2843372 Specdb::MsMs 2865882 Specdb::MsMs 2865883 Specdb::MsMs 2865884 HMDB40227 #<Reference:0x000055ce32378420> Peppermint Type 1 specific Mentha X piperita 34256 0.0055 0.0055 0.0055 mg/100 g leaf mint peppermint sweet tropical woody