1.0 2016-06-03 13:19:45 UTC 2026-08-31 00:39:24 UTC octadecylbenzenesulphonic acid SmallMolecule Octadecylbenzenesulphonic acid has the chemical formula C24H42O3S and an average molecular weight of 410.66 g/mol. Octadecylbenzenesulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is recorded as being found in or released from drinking water and water supply, specifically drinking water. The recorded exposure route for this substance is oral. C24H42O3S 410.66 410.285466386 2-octadecylbenzene-1-sulfonic acid 2-octadecylbenzenesulfonic acid 28855-17-6 CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O InChI=1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27) AQQPJNOXVZFTGE-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organosulfonic acids Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp 10.1 logp 5.36 ALOGPS logs -6.75 ALOGPS solubility 7.25e-05 g/l ALOGPS logp 9.23 ChemAxon pka_strongest_acidic -1.6 ChemAxon iupac 2-octadecylbenzene-1-sulfonic acid ChemAxon average_mass 410.66 ChemAxon mono_mass 410.285466386 ChemAxon smiles CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O ChemAxon formula C24H42O3S ChemAxon inchi InChI=1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27) ChemAxon inchikey AQQPJNOXVZFTGE-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 119.94 ChemAxon polarizability 51.92 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbfe41180> 3015434 2283575