1.0 2010-04-08 22:12:22 UTC 2019-11-26 03:13:02 UTC FDB016320 p-Menth-1-en-9-ol acetate Flavouring ingredient. p-Menth-1-en-9-ol acetate is found in spearmint. 1-p-Menthen-9-yl acetate 3-Cyclohexene-1-ethanol, beta,4-dimethyl-, acetate 9-Acetoxy-1-p-menthene beta,4-Dimethyl-3-cyclohexene-1-ethyl acetate beta,4-Dimethylcyclohex-3-ene-1-ethyl acetate P-ment-1-en-9-ol Acetate P-Menth-1-en-9-ol, acetate P-Menth-1-en-9-yl acetate C12H20O2 196.286 196.146329884 2-(4-methylcyclohex-3-en-1-yl)propyl acetate 2-(4-methylcyclohex-3-en-1-yl)propyl acetate 28839-13-6 CC(COC(C)=O)C1CCC(C)=CC1 InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3 QUHIXSUMNSRNNP-UHFFFAOYSA-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 3.75 ALOGPS logs -3.05 ALOGPS solubility 1.76e-01 g/l ALOGPS logp 2.65 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propyl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC(COC(C)=O)C1CCC(C)=CC1 ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3 ChemAxon inchikey QUHIXSUMNSRNNP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.71 ChemAxon polarizability 23.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11876 Specdb::CMs 137558 Specdb::CMs 145292 Specdb::MsMs 80604 Specdb::MsMs 80605 Specdb::MsMs 80606 Specdb::MsMs 141516 Specdb::MsMs 141517 Specdb::MsMs 141518 Specdb::MsMs 2743189 Specdb::MsMs 2743190 Specdb::MsMs 2743191 Specdb::MsMs 2935535 Specdb::MsMs 2935536 Specdb::MsMs 2935537 HMDB37301 #<Reference:0x00007f093c0e0cd0> Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Spearmint Type 1 specific Mentha spicata 29719 fruit fruity herb herbal spicy warm