63161 <common-name>2-Methyl-1-phenol-4-sulfonic acid</common-name> <description>2-Methyl-1-phenol-4-sulfonic acid is an organic compound with the formula C7H8O4S1 and an average molecular weight of 188.20 g/mol. 2-Methyl-1-phenol-4-sulfonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is classified as a benzenoid. It has been identified as being found in or released from one recorded source, which is electrical and electronic equipment specifically related to antennas.</description> <cas>05-04-34</cas> <pubchem-id>407379</pubchem-id> <chemical-formula>C7H8O4S1</chemical-formula> <weight>188.2</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-02T23:15:19Z</created-at> <updated-at type="dateTime">2026-08-24T09:09:59Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=CC(=CC=C1O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C7H8O4S1</moldb-formula> <moldb-inchi>InChI=1S/C7H8O4S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)</moldb-inchi> <moldb-inchikey>BZOVBIIWPDQIHF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">188.2</moldb-average-mass> <moldb-mono-mass type="decimal">188.014329</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>360432</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM059054</chemdb-id> <dsstox-id>DTXSID40424165</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014326</susdat-id> <iupac>4-Hydroxy-3-methylbenzene-1-sulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0159369</sync-id> <structure-inchikey>YCOXCINCKKAZMJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000020000000000000000000000000000000000000000000000000000000000008000000020000020000000000000001000000000000000000000410000000000000000100000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000080000000000000000000080100000000000000000000188000000000008000000000000000002100100000000000000000000000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQI AGgAAAADAQEQACAAAAAGCABgAAAAAQEIACgAAAADAggAKAAAAAMCCwABAAEC aAwCA2gMAwRoDAQFaAwFBmgMBgcgAwgACAkACAoIAggLCAIGAWgMQgEAAAAG AQYFBAMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:04Z</structure-indexed-at> </compound>