1.0 2016-05-19 04:04:44 UTC 2026-05-14 19:08:57 UTC Hexanoic acid, 2-ethyl-, hexadecyl ester SmallMolecule Hexanoic acid, 2-ethyl-, hexadecyl ester belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C24H48O2 and an average molecular weight of 368.65 g/mol. It is classified as a lipid and lipid-like molecule. In industrial applications, it is utilized as a softener and conditioner. The compound has been identified in nine recorded sources. Within the category of food, food processing, and cookware, it is associated with food contact materials, the processing of meats, and the preparation of vinegar, wine, or sparkling wine. It is also found in drinking water and water supply systems, as well as in indoor air, dust, and atmospheric transport. Additional sources include fencing used in building and construction, electrically stimulated smoking devices in electrical and electronic equipment, and cigar cigarettes among household cleaning and consumer products. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch. hexadecyl 2-ethylhexanoate C24H48O2 368.646 368.365430786 hexadecyl 2-ethylhexanoate hexadecyl 2-ethylhexanoate 59130-69-7 CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3 XJNUECKWDBNFJV-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Fatty alcohol esters Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Detected and Not Quantified logp 9.6 logp 9.52 ALOGPS logs -7.39 ALOGPS solubility 1.51e-05 g/l ALOGPS logp 9.6 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac hexadecyl 2-ethylhexanoate ChemAxon average_mass 368.646 ChemAxon mono_mass 368.365430786 ChemAxon smiles CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC ChemAxon formula C24H48O2 ChemAxon inchi InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3 ChemAxon inchikey XJNUECKWDBNFJV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 114.1 ChemAxon polarizability 50.38 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3125d28> DB11349 42956 39152