1.0 2011-10-02 06:37:53 UTC 2025-11-19 02:59:03 UTC FDB029781 Diethyl maleate Flavouring compound [Superscent] C8H12O4 172.1785 172.073558872 1,4-diethyl (2Z)-but-2-enedioate diethyl maleate 623-91-6 CCOC(=O)\C=C/C(=O)OCC InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- IEPRKVQEAMIZSS-WAYWQWQTSA-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 Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound ethyl ester maleate ester logp 1.34 ALOGPS logs -1.77 ALOGPS solubility 2.90e+00 g/l ALOGPS logp 1.43 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,4-diethyl (2Z)-but-2-enedioate ChemAxon average_mass 172.1785 ChemAxon mono_mass 172.073558872 ChemAxon smiles CCOC(=O)\C=C/C(=O)OCC ChemAxon formula C8H12O4 ChemAxon inchi InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- ChemAxon inchikey IEPRKVQEAMIZSS-WAYWQWQTSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 43.64 ChemAxon polarizability 17.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7974 Specdb::MsIr 7975 Specdb::CMs 12642 Specdb::CMs 27192 Specdb::CMs 27500 Specdb::CMs 27692 Specdb::CMs 29380 Specdb::CMs 29731 Specdb::CMs 29739 Specdb::CMs 101969 Specdb::CMs 101970 Specdb::CMs 101971 Specdb::CMs 101972 Specdb::CMs 101973 Specdb::CMs 101974 Specdb::CMs 137210 Specdb::CMs 144944 Specdb::MsMs 73059 Specdb::MsMs 73060 Specdb::MsMs 73061 Specdb::MsMs 132138 Specdb::MsMs 132139 Specdb::MsMs 132140 Specdb::MsMs 2744511 Specdb::MsMs 2744512 Specdb::MsMs 2744513 Specdb::MsMs 2937043 Specdb::MsMs 2937044 Specdb::MsMs 2937045 Specdb::NmrOneD 27422 Specdb::NmrOneD 27423 Specdb::NmrOneD 27424 Specdb::NmrOneD 27425 Specdb::NmrOneD 27426 Specdb::NmrOneD 27427 Specdb::NmrOneD 27428 Specdb::NmrOneD 27429 Specdb::NmrOneD 27430 Specdb::NmrOneD 27431 Specdb::NmrOneD 27432 Specdb::NmrOneD 27433 Specdb::NmrOneD 27434 Specdb::NmrOneD 27435 Specdb::NmrOneD 27436 Specdb::NmrOneD 27437 Specdb::NmrOneD 27438 Specdb::NmrOneD 27439 Specdb::NmrOneD 27440 Specdb::NmrOneD 27441 HMDB0038601 banana