1.0 2016-05-19 04:40:53 UTC 2026-08-19 07:29:55 UTC 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester SmallMolecule 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C14H22O8 and an average molecular weight of 318.32 g/mol. In industrial applications, it serves as a plasticizer, film former, fragrance, and deodorizer. The substance is found in or released from 22 recorded sources. Within electrical and electronic equipment, it is associated with electrodes, electric switches, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among four other sources. In the category of household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, along with two additional sources. Regarding food, food processing and cookware, it is utilized in food contact materials, food preservation, the processing of meats, and the preparation of vinegar, wine, or sparkling wine. Additionally, it is present in indoor air as part of air, dust and atmospheric transport. Recorded exposure routes for this compound include touch, oral, and inhalation. 1,2,3-triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate Acetyltriethyl citrate C14H22O8 318.322 318.131467668 1,2,3-triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate acetyl triethyl citrate 77-89-4 CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3 WEAPVABOECTMGR-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Tetracarboxylic acids and derivatives Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tetracarboxylic acid or derivatives Aliphatic acyclic compounds Detected and Not Quantified logp 0.6 logp 1.58 ALOGPS logs -2.51 ALOGPS solubility 9.75e-01 g/l ALOGPS logp 0.63 ChemAxon pka_strongest_acidic 16.19 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,2,3-triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate ChemAxon average_mass 318.322 ChemAxon mono_mass 318.131467668 ChemAxon smiles CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC ChemAxon formula C14H22O8 ChemAxon inchi InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3 ChemAxon inchikey WEAPVABOECTMGR-UHFFFAOYSA-N ChemAxon polar_surface_area 105.2 ChemAxon refractivity 73.33 ChemAxon polarizability 31.63 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222c3ae60> 6504 6258