1.0 2010-04-08 22:08:01 UTC 2015-07-20 22:20:42 UTC FDB008294 Ethyl pyruvate Flavouring ingredient Ethyl 2-oxopropanoate Ethyl 2-oxopropionate Ethyl acetylformate Ethyl alpha-ketopropionate Ethyl pyroracemate Ethyl pyruvate FEMA 2457 Propanoic acid, 2-oxo-, ethyl ester Pyruvic acid ethyl ester Pyruvic acid, ethyl ester Pyruvic acid, ethyl ester (8CI) C5H8O3 116.1152 116.047344122 ethyl 2-hydroxyprop-2-enoate ethyl 2-hydroxyprop-2-enoate 617-35-6 CCOC(=O)C(O)=C InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3 PSYUBHDPOIZRST-UHFFFAOYSA-N belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. Enoate esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Enols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Enoate ester Enol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 0.40 ALOGPS logs -0.13 ALOGPS solubility 8.68e+01 g/l ALOGPS melting_point Mp -50° logp 0.75 ChemAxon pka_strongest_acidic 10.34 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac ethyl 2-hydroxyprop-2-enoate ChemAxon average_mass 116.1152 ChemAxon mono_mass 116.047344122 ChemAxon smiles CCOC(=O)C(O)=C ChemAxon formula C5H8O3 ChemAxon inchi InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3 ChemAxon inchikey PSYUBHDPOIZRST-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 28.78 ChemAxon polarizability 11.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 315796 Specdb::MsMs 315797 Specdb::MsMs 315798 Specdb::MsMs 361879 Specdb::MsMs 361880 Specdb::MsMs 361881 Specdb::CMs 22406 Specdb::CMs 42559 HMDB31643 #<Reference:0x000055ce31f2a2d8> #<Reference:0x000055ce31f2a008> #<Reference:0x000055ce31f29dd8> caramel citrus earthy ether fatty floral fruity green herbaceous meaty nutty rum sharp spicy sweet vegetable wine_like woody Tumor necrosis factor P01375 TNF