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<compound>
  <version>1.0</version>
  <creation_date>2026-08-25 04:23:35 UTC</creation_date>
  <update_date>2026-08-25 04:23:35 UTC</update_date>
  <accession/>
  <common_name>2-methylsulfonylbenzoic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-methylsulfonylbenzoic acid is an organic compound with the chemical formula C8H8O4S and an average molecular weight of 200.21 g/mol. 2-methylsulfonylbenzoic acid belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds.

The substance is found in or released from 16 recorded sources across various sectors. Within electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, contacts, and cores yokes or armatures, among three other sources. In the realm of food, food processing and cookware, it is linked to the processing of fish and the preparation of malt and wort. Furthermore, the compound is identified in household cleaning and consumer products, specifically in tobacco pipes, other smoking requisites, and non-electric simulated smoking devices. It is also found in building and construction materials, including tents or canopies and ceilings.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C8H8O4S</chemical_formula>
  <average_molecular_weight>200.21</average_molecular_weight>
  <monisotopic_moleculate_weight>200.0143299</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>33963-55-2</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)</inchi>
  <inchikey>BZSXEZOLBIJVQK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>200.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>200.0143299</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H8O4S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BZSXEZOLBIJVQK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>284342</pubchem_compound_id>
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