1.0 2016-05-22 07:14:06 UTC 2026-08-24 11:41:49 UTC Methyl toluene-4-sulfonate SmallMolecule Methyl toluene-4-sulfonate is an organic compound with the formula C8H10O3S and an average molecular weight of 186.23 g/mol. Methyl toluene-4-sulfonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance is further classified under the superclass of benzenoids. The compound is associated with 32 recorded sources from which it may be found or released. Within the category of electrical and electronic equipment, these sources include amplifiers, antennas, discharge lamps, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among 14 other items. In the context of food, food processing, and cookware, it is linked to the preparation of malt, food preservation, fermentation processes for beer, the processing of meats, and the preparation of wine or sparkling wine. Additionally, it is found in household cleaning and consumer products, specifically within soap detergents, bleaching agents, pipe accessories, perfumes within detergents and soaps, and tobacco smoke filters. Finally, the compound is associated with building and construction materials, including floors, fencing, and tents or canopies. methyl 4-methylbenzene-1-sulfonate C8H10O3S 186.23 186.035065356 methyl 4-methylbenzene-1-sulfonate methyl 4-methylbenzenesulfonate 80-48-8 COS(=O)(=O)C1=CC=C(C)C=C1 InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 VUQUOGPMUUJORT-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organosulfonic acid esters Sulfonyls Tosyl compounds p-Methylbenzenesulfonates Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate ester Benzenesulfonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid ester Organosulfonic acid or derivatives Organosulfur compound P-methylbenzenesulfonate Sulfonyl Toluene Tosyl compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.2 logp 1.38 ALOGPS logs -2.22 ALOGPS solubility 1.13e+00 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac methyl 4-methylbenzene-1-sulfonate ChemAxon average_mass 186.23 ChemAxon mono_mass 186.035065356 ChemAxon smiles COS(=O)(=O)C1=CC=C(C)C=C1 ChemAxon formula C8H10O3S ChemAxon inchi InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 ChemAxon inchikey VUQUOGPMUUJORT-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 46.2 ChemAxon polarizability 18.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721ec33fd8> 6645 6393