1.0 2010-04-08 22:08:14 UTC 2019-11-26 03:03:08 UTC FDB008757 alpha-Terpinyl propanoate Flavouring agent. alpha-Terpinyl propanoate is found in wild celery and lemon. α-terpinyl ester of propanoic acid α-terpinyl propionate 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl propionate 4-Terpinenyl ester of propanoic acid a-Terpineol propanoate alpha -Terpinyl ester OF propanoic acid alpha -Terpinyl propionate alpha-Terpinyl propanoate alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate FEMA 3053 p-Menth-1-en-8-yl propanoate p-Menth-1-en-8-yl propionate p-Menth-1-en-8-yl-propionate P-menthanyl propionate Propionic acid, terpineol ester Terpenyl propionate Terpineol propionate Terpineol, propanoate Terpinyl n-propionate Terpinyl propionate C13H22O2 210.3126 210.161979948 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate terpineol, propanoate 80-27-3 CCC(=O)OC(C)(C)C1CCC(C)=CC1 InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3 CMKQOKAXUWQAHG-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 4.38 ALOGPS logs -3.40 ALOGPS solubility 8.35e-02 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCC(=O)OC(C)(C)C1CCC(C)=CC1 ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3 ChemAxon inchikey CMKQOKAXUWQAHG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 62.24 ChemAxon polarizability 25.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5057 Specdb::MsIr 5058 Specdb::CMs 18600 Specdb::CMs 28518 Specdb::CMs 101027 Specdb::CMs 133362 Specdb::CMs 141096 Specdb::MsMs 52164 Specdb::MsMs 52165 Specdb::MsMs 52166 Specdb::MsMs 158073 Specdb::MsMs 158074 Specdb::MsMs 158075 Specdb::MsMs 2396868 Specdb::MsMs 2396869 Specdb::MsMs 2396870 Specdb::MsMs 2542289 Specdb::MsMs 2542290 Specdb::MsMs 2542291 HMDB32052 #<Reference:0x000055ac40de2a28> Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Lemon Type 1 specific Citrus limon 2708 Wild celery Type 1 specific Apium graveolens 4045 bitter citrus geranium green herbal old wood tropical