1.0 2010-04-08 22:08:14 UTC 2015-07-20 22:25:54 UTC FDB008758 alpha-Terpinyl butanoate Flavouring agent α-Terpinyl butyrate α-Terpinyl ester of n-butanoic acid 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butanoate 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate 4-Terpinenyl ester of n-butanoic acid a-Terpineol butanoate alpha -Terpinyl butyrate alpha -Terpinyl ester OF N-butanoic acid alpha-Terpinyl butanoate alpha-Terpinyl butyrate Butyric acid, p-menth-1-en-8-yl ester FEMA 3049 p-Menth-1-en-8-yl butyrate Terpinyl butyrate Terpinyl n-butyrate C14H24O2 224.3392 224.177630012 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate 2153-28-8 CCCC(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3 LWKWNIYBQLKBMQ-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 Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 4.58 ALOGPS logs -3.74 ALOGPS solubility 4.13e-02 g/l ALOGPS logp 3.76 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CCCC(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3 ChemAxon inchikey LWKWNIYBQLKBMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 66.84 ChemAxon polarizability 27.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105876 Specdb::MsMs 105877 Specdb::MsMs 105878 Specdb::MsMs 172491 Specdb::MsMs 172492 Specdb::MsMs 172493 Specdb::MsMs 2675344 Specdb::MsMs 2675345 Specdb::MsMs 2675346 Specdb::MsMs 3033365 Specdb::MsMs 3033366 Specdb::MsMs 3033367 Specdb::CMs 13935 Specdb::CMs 130651 Specdb::CMs 138385 HMDB32053 #<Reference:0x000055ce32cce948> balsam fruity rosemary sour