1.0 2010-04-08 22:08:32 UTC 2018-05-28 23:23:03 UTC FDB009370 (+/-)-Ethyl 3-acetoxy-2-methylbutyrate It is used as a food additive . C9H16O4 188.2209 188.104859 ethyl 3-(acetyloxy)-2-methylbutanoate ethyl 3-(acetyloxy)-2-methylbutanoate 139564-43-5 CCOC(=O)C(C)C(C)OC(C)=O InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3 KYWLAHNPWLJLDJ-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 1.62 ALOGPS logs -1.21 ALOGPS solubility 1.16e+01 g/l ALOGPS logp 1.1 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac ethyl 3-(acetyloxy)-2-methylbutanoate ChemAxon average_mass 188.2209 ChemAxon mono_mass 188.104859 ChemAxon smiles CCOC(=O)C(C)C(C)OC(C)=O ChemAxon formula C9H16O4 ChemAxon inchi InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3 ChemAxon inchikey KYWLAHNPWLJLDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 46.71 ChemAxon polarizability 19.78 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21924 Specdb::CMs 136137 Specdb::CMs 143871 Specdb::NmrOneD 112418 Specdb::NmrOneD 112419 Specdb::NmrOneD 112420 Specdb::NmrOneD 112421 Specdb::NmrOneD 112422 Specdb::NmrOneD 112423 Specdb::NmrOneD 112424 Specdb::NmrOneD 112425 Specdb::NmrOneD 112426 Specdb::NmrOneD 112427 Specdb::NmrOneD 112428 Specdb::NmrOneD 112429 Specdb::NmrOneD 112430 Specdb::NmrOneD 112431 Specdb::NmrOneD 112432 Specdb::NmrOneD 112433 Specdb::NmrOneD 112434 Specdb::NmrOneD 112435 Specdb::NmrOneD 112436 Specdb::NmrOneD 112437 Specdb::MsMs 60309 Specdb::MsMs 60310 Specdb::MsMs 60311 Specdb::MsMs 116619 Specdb::MsMs 116620 Specdb::MsMs 116621 Specdb::MsMs 2755876 Specdb::MsMs 2755877 Specdb::MsMs 2755878 Specdb::MsMs 2953017 Specdb::MsMs 2953018 Specdb::MsMs 2953019 HMDB32258 #<Reference:0x000055ce30822518> fruity