1.0 2010-04-08 22:08:33 UTC 2018-05-28 23:23:18 UTC FDB009393 (+/-)-Ethyl 2-hydroxy-2-methylbutyrate It is used as a food additive . Butanoic acid, 2-hydroxy-2-methyl-, ethyl ester ethyl 2-hydroxy-2-methylbutanoate Ethyl 2-hydroxy-2-methylbutyrate C7H14O3 146.1843 146.094294314 ethyl 2-hydroxy-2-methylbutanoate ethyl 2-hydroxy-2-methylbutanoate 77-70-3 CCOC(=O)C(C)(O)CC InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3 KIYWRWLZHQZKKD-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 Tertiary alcohols Alcohol 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 Tertiary alcohol logp 1.56 ALOGPS logs -0.42 ALOGPS solubility 5.52e+01 g/l ALOGPS logp 0.99 ChemAxon pka_strongest_acidic 12.6 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac ethyl 2-hydroxy-2-methylbutanoate ChemAxon average_mass 146.1843 ChemAxon mono_mass 146.094294314 ChemAxon smiles CCOC(=O)C(C)(O)CC ChemAxon formula C7H14O3 ChemAxon inchi InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3 ChemAxon inchikey KIYWRWLZHQZKKD-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 37.59 ChemAxon polarizability 15.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5221 Specdb::MsIr 5222 Specdb::MsIr 5223 Specdb::CMs 9890 Specdb::CMs 42797 Specdb::CMs 164228 Specdb::MsMs 83847 Specdb::MsMs 83848 Specdb::MsMs 83849 Specdb::MsMs 145542 Specdb::MsMs 145543 Specdb::MsMs 145544 Specdb::MsMs 2281240 Specdb::MsMs 2281241 Specdb::MsMs 2281242 Specdb::MsMs 3083680 Specdb::MsMs 3083681 Specdb::MsMs 3083682 Specdb::NmrOneD 112518 Specdb::NmrOneD 112519 Specdb::NmrOneD 112520 Specdb::NmrOneD 112521 Specdb::NmrOneD 112522 Specdb::NmrOneD 112523 Specdb::NmrOneD 112524 Specdb::NmrOneD 112525 Specdb::NmrOneD 112526 Specdb::NmrOneD 112527 Specdb::NmrOneD 112528 Specdb::NmrOneD 112529 Specdb::NmrOneD 112530 Specdb::NmrOneD 112531 Specdb::NmrOneD 112532 Specdb::NmrOneD 112533 Specdb::NmrOneD 112534 Specdb::NmrOneD 112535 Specdb::NmrOneD 112536 Specdb::NmrOneD 112537 HMDB32269 #<Reference:0x00005612731a9498> caramel nutty