1.0 2010-04-08 22:10:14 UTC 2015-07-20 22:51:36 UTC FDB012546 Ethyl (±)-3-methylpentanoate Flavouring ingredient 3-Methylpentanoic acid, ethyl ester Ethyl 3-methylpentanoate Ethyl 3-methylvalerate Ethyl beta -methylvalerate Ethyl beta-methylvalerate FEMA 3679 Pentanoic acid, 3-methyl-, ethyl ester Valeric acid, 3-methyl-, ethyl ester C8H16O2 144.2114 144.115029756 ethyl 3-methylpentanoate ethyl 3-methylpentanoate 5870-68-8 CCOC(=O)CC(C)CC InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3 TXAWGHYFBQBVNK-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.76 ALOGPS logs -1.96 ALOGPS solubility 1.60e+00 g/l ALOGPS logp 2.16 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 3-methylpentanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCOC(=O)CC(C)CC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3 ChemAxon inchikey TXAWGHYFBQBVNK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.54 ChemAxon polarizability 16.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6499 Specdb::MsIr 6500 Specdb::CMs 2573 Specdb::CMs 171004 Specdb::NmrOneD 125058 Specdb::NmrOneD 125059 Specdb::NmrOneD 125060 Specdb::NmrOneD 125061 Specdb::NmrOneD 125062 Specdb::NmrOneD 125063 Specdb::NmrOneD 125064 Specdb::NmrOneD 125065 Specdb::NmrOneD 125066 Specdb::NmrOneD 125067 Specdb::NmrOneD 125068 Specdb::NmrOneD 125069 Specdb::NmrOneD 125070 Specdb::NmrOneD 125071 Specdb::NmrOneD 125072 Specdb::NmrOneD 125073 Specdb::NmrOneD 125074 Specdb::NmrOneD 125075 Specdb::NmrOneD 125076 Specdb::NmrOneD 125077 Specdb::MsMs 12716 Specdb::MsMs 12717 Specdb::MsMs 12718 Specdb::MsMs 19388 Specdb::MsMs 19389 Specdb::MsMs 19390 Specdb::MsMs 2667742 Specdb::MsMs 2667743 Specdb::MsMs 2667744 Specdb::MsMs 3014216 Specdb::MsMs 3014217 Specdb::MsMs 3014218 HMDB34234 #<Reference:0x000055ce331ed230> fruity pineapple