1.0 2010-04-08 22:08:14 UTC 2015-07-20 22:25:54 UTC FDB008759 alpha-Terpinyl pentanoate Prob. a flavouring agent (±)-p-Menth-1-en-8-yl pentanoate 1-Methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate alpha-Terpinyl pentanoate Terpenyl pentanoate Terpinyl valerate Valeric acid, p-menth-1-en-8-yl ester C15H26O2 238.3657 238.193280076 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate 14481-55-1 CCCCC(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3 GIHNOWFSKYCHNL-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 4.93 ALOGPS logs -4.08 ALOGPS solubility 2.00e-02 g/l ALOGPS logp 4.21 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl pentanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CCCCC(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3 ChemAxon inchikey GIHNOWFSKYCHNL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 71.44 ChemAxon polarizability 28.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23779 Specdb::CMs 155246 Specdb::MsMs 102867 Specdb::MsMs 102868 Specdb::MsMs 102869 Specdb::MsMs 168753 Specdb::MsMs 168754 Specdb::MsMs 168755 Specdb::MsMs 2668594 Specdb::MsMs 2668595 Specdb::MsMs 2668596 Specdb::MsMs 3013271 Specdb::MsMs 3013272 Specdb::MsMs 3013273 HMDB32054 #<Reference:0x000055ce306a3bb0> floral fruity