1.0 2010-04-08 22:08:14 UTC 2019-11-26 03:03:08 UTC FDB008755 alpha-Terpinyl formate Flavouring agent. alpha-Terpinyl formate is found in cardamom and sweet bay. 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, formate a-Terpineol formate alpha-Terpineol formate alpha-Terpinyl formate alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl formate FEMA 3052 p-1-Menthen-8-yl formate P-Menth-1-en-8-ol, formate p-Menth-1-en-8-ol, formate (mixed isomers) P-Menth-1-en-8-yl formate p-menth-1-en-8-yl-formate Terpinyl formate C11H18O2 182.2594 182.13067982 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate 2153-26-6 CC1=CCC(CC1)C(C)(C)OC=O InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3 IPYLQIQMGUZFCK-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 3.56 ALOGPS logs -2.78 ALOGPS solubility 3.01e-01 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate ChemAxon average_mass 182.2594 ChemAxon mono_mass 182.13067982 ChemAxon smiles CC1=CCC(CC1)C(C)(C)OC=O ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3 ChemAxon inchikey IPYLQIQMGUZFCK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 53.12 ChemAxon polarizability 21.01 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5054 Specdb::CMs 24354 Specdb::CMs 28344 Specdb::CMs 101025 Specdb::CMs 146219 Specdb::MsMs 68976 Specdb::MsMs 68977 Specdb::MsMs 68978 Specdb::MsMs 127143 Specdb::MsMs 127144 Specdb::MsMs 127145 Specdb::MsMs 2351131 Specdb::MsMs 2351132 Specdb::MsMs 2351133 Specdb::MsMs 2583779 Specdb::MsMs 2583780 Specdb::MsMs 2583781 HMDB32050 #<Reference:0x000055ce32165db8> Cardamom Type 1 specific Elettaria cardamomum 105181 Sweet bay Type 1 specific Laurus nobilis 85223 bitter citrus floral fruity lavender