1.0 2010-04-08 22:09:06 UTC 2018-05-28 23:27:40 UTC FDB010375 Terpinyl isobutyrate It is used as a food additive . α-terpinyl ester of isobutanoic acid α-terpinyl isobutyrate Terpinyl iso-butyrate C14H24O2 224.3392 224.177630012 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate 7774-65-4 CC(C)C(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3 SMQUXKIIXFOJKI-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 4.78 ALOGPS logs -3.56 ALOGPS solubility 6.16e-02 g/l ALOGPS logp 3.86 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CC(C)C(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3 ChemAxon inchikey SMQUXKIIXFOJKI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 66.81 ChemAxon polarizability 26.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12339 Specdb::CMs 136247 Specdb::CMs 143981 Specdb::MsMs 88623 Specdb::MsMs 88624 Specdb::MsMs 88625 Specdb::MsMs 151386 Specdb::MsMs 151387 Specdb::MsMs 151388 Specdb::MsMs 2734727 Specdb::MsMs 2734728 Specdb::MsMs 2734729 Specdb::MsMs 2974272 Specdb::MsMs 2974273 Specdb::MsMs 2974274 bergamot fatty floral green herbal spice