1.0 2010-04-08 22:14:43 UTC 2015-07-21 06:41:25 UTC FDB019991 alpha-Terpinyl isovalerate Flavouring ingredient &alpha;-Terpenyl isovalerate &alpha;-Terpinyl isopentanoate alpha -Terpenyl isovalerate alpha -Terpinyl isopentanoate alpha-Terpinyl isovalerate FEMA 3054 Isovaleric acid, p-menth-1-en-8-yl ester N-Terpinenyl ester OF isopentanoic acid p-Menth-1-en-8-yl 3-methylbutanoate p-Menth-1-en-8-yl 3-methylbutyrate p-Menth-1-en-8-yl beta-methylbutyrate p-Menth-1-en-8-yl isopentanoate p-Menth-1-en-8-yl isovalerate Terpenyl isovalerate Terpinyl iso-valerate Terpinyl isopentanoate Terpinyl isovalerate Terpinyl isovalerianate C15H26O2 238.3657 238.193280076 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate 1142-85-4 CC(C)CC(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3 XRADSECIALQFFY-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 4.90 ALOGPS logs -3.86 ALOGPS solubility 3.28e-02 g/l ALOGPS logp 4.05 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)CC(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3 ChemAxon inchikey XRADSECIALQFFY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 71.39 ChemAxon polarizability 28.91 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25648 Specdb::CMs 156598 Specdb::MsMs 48552 Specdb::MsMs 48553 Specdb::MsMs 48554 Specdb::MsMs 129168 Specdb::MsMs 129169 Specdb::MsMs 129170 Specdb::MsMs 2341155 Specdb::MsMs 2341156 Specdb::MsMs 2341157 Specdb::MsMs 2594230 Specdb::MsMs 2594231 Specdb::MsMs 2594232 HMDB40273 #<Reference:0x000055ac40ddf1c0> bitter incense olibanum orange pine sweet