1.0 2010-04-08 22:14:41 UTC 2025-11-19 02:26:48 UTC FDB019933 Diethyl D-malate It is used as a food additive Diethyl D-malate Diethyl hydroxybutanedioate Diethyl hydroxybutanoate Diethyl malate Malic acid, diethyl ester C8H14O5 190.1938 190.084123558 1,4-diethyl 2-hydroxybutanedioate 1,4-diethyl 2-hydroxybutanedioate 7554-28-1 CCOC(=O)CC(O)C(=O)OCC InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 VKNUORWMCINMRB-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol malate ester logp 0.34 ALOGPS logs -0.29 ALOGPS solubility 9.65e+01 g/l ALOGPS logp -0.11 ChemAxon pka_strongest_acidic 12.44 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1,4-diethyl 2-hydroxybutanedioate ChemAxon average_mass 190.1938 ChemAxon mono_mass 190.084123558 ChemAxon smiles CCOC(=O)CC(O)C(=O)OCC ChemAxon formula C8H14O5 ChemAxon inchi InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 ChemAxon inchikey VKNUORWMCINMRB-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 43.91 ChemAxon polarizability 18.75 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8799 Specdb::MsIr 8800 Specdb::MsIr 8801 Specdb::CMs 2529 Specdb::CMs 29795 Specdb::CMs 46712 Specdb::CMs 102078 Specdb::CMs 169631 Specdb::NmrOneD 39102 Specdb::NmrOneD 39103 Specdb::NmrOneD 39104 Specdb::NmrOneD 39105 Specdb::NmrOneD 39106 Specdb::NmrOneD 39107 Specdb::NmrOneD 39108 Specdb::NmrOneD 39109 Specdb::NmrOneD 39110 Specdb::NmrOneD 39111 Specdb::NmrOneD 39112 Specdb::NmrOneD 39113 Specdb::NmrOneD 39114 Specdb::NmrOneD 39115 Specdb::NmrOneD 39116 Specdb::NmrOneD 39117 Specdb::NmrOneD 39118 Specdb::NmrOneD 39119 Specdb::NmrOneD 39120 Specdb::NmrOneD 39121 Specdb::MsMs 58563 Specdb::MsMs 58564 Specdb::MsMs 58565 Specdb::MsMs 114510 Specdb::MsMs 114511 Specdb::MsMs 114512 Specdb::MsMs 2823359 Specdb::MsMs 2823360 Specdb::MsMs 2823361 Specdb::MsMs 2859185 Specdb::MsMs 2859186 Specdb::MsMs 2859187 HMDB0040220 53781