1.0 2016-05-19 03:19:10 UTC 2026-08-17 21:43:50 UTC Dimethyl Isophalate SmallMolecule Dimethyl Isophalate is an organic compound with the chemical formula C10H10O4 and an average molecular weight of 194.19 g/mol. Dimethyl Isophalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, the compound is utilized as a plasticizer. The substance is identified in 21 recorded sources. Within electrical and electronic equipment, it is found in antennas, coils, communication cables or conductors, electric switches, and electrically stimulated smoking devices, among seven other items. It is present in household cleaning and consumer products, including soap detergents, bleaching agents, cigar cigarettes, and tobacco smoke filters. In the context of food, food processing, and cookware, it is associated with processing meats, food contact materials, and fermentation processes for beer. Additionally, it is recorded in drinking water and water supply, as well as in building and construction materials such as tents or canopies. Recorded exposure routes for this compound include inhalation, oral, and touch. 1,3-dimethyl benzene-1,3-dicarboxylate Dimethyl isophthalate dimethyl isophthalate C10H10O4 194.186 194.057908802 1,3-dimethyl benzene-1,3-dicarboxylate dimethyl isophthalate 1459-93-4 COC(=O)C1=CC(=CC=C1)C(=O)OC InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3 VNGOYPQMJFJDLV-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives m-Phthalate esters Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives M-phthalic acid and derivatives Methyl esters Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Meta-phthalic acid ester Meta_phthalic_acid Methyl ester Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.2 logp 1.90 ALOGPS logs -2.27 ALOGPS solubility 1.05e+00 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-dimethyl benzene-1,3-dicarboxylate ChemAxon average_mass 194.186 ChemAxon mono_mass 194.057908802 ChemAxon smiles COC(=O)C1=CC(=CC=C1)C(=O)OC ChemAxon formula C10H10O4 ChemAxon inchi InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3 ChemAxon inchikey VNGOYPQMJFJDLV-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 50.11 ChemAxon polarizability 19.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf343ad38> 15088 14360