1.0 2016-05-19 03:41:22 UTC 2026-08-20 07:00:43 UTC Butanedioic acid, 1,4-bis(2-ethylhexyl) ester SmallMolecule Butanedioic acid, 1,4-bis(2-ethylhexyl) ester is an organic compound with the formula C20H38O4 and an average molecular weight of 342.52 g/mol. Butanedioic acid, 1,4-bis(2-ethylhexyl) ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. In industrial applications, this compound serves as a plasticizer, solvent, film former, and softener and conditioner. It has been identified in three recorded sources, including drinking water and water supply (drinking water) as well as food, food processing, and cookware (food contact materials, processing meats). Exposure to this substance occurs via oral, inhalation, and touch routes. bis(2-ethylhexyl) succinate C20H38O4 342.52 342.277009704 1,4-bis(2-ethylhexyl) butanedioate 1,4-bis(2-ethylhexyl) butanedioate 2915-57-3 CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3 WMNULTDOANGXRT-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Fatty acid esters 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 Aliphatic acyclic compounds Detected and Not Quantified logp 6.1 logp 6.62 ALOGPS logs -5.99 ALOGPS solubility 3.47e-04 g/l ALOGPS logp 5.94 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,4-bis(2-ethylhexyl) butanedioate ChemAxon average_mass 342.52 ChemAxon mono_mass 342.277009704 ChemAxon smiles CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC ChemAxon formula C20H38O4 ChemAxon inchi InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3 ChemAxon inchikey WMNULTDOANGXRT-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 97.37 ChemAxon polarizability 42.48 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72228c5780> 102903 92957