<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 09:08:47 UTC</creation_date>
  <update_date>2026-08-18 23:14:56 UTC</update_date>
  <accession/>
  <common_name>(2S)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(2S)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H12O6S and an average molecular weight of 296.30 g/mol.

It has been identified in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables, among one other source. In the textiles, leather, and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also linked to food packaging in the food, food processing, and cookware sector, and medical devices in the healthcare, pharmaceuticals, and veterinary products sector. Additionally, the compound is present in lubricants used within the energy, oil, and gas sector as well as the industrial manufacturing and chemical processing sector, with one other sector also recorded. Recorded routes of exposure for this substance include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C13H12O6S</chemical_formula>
  <average_molecular_weight>296.3</average_molecular_weight>
  <monisotopic_moleculate_weight>296.0354593</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>69391-09-9</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C13H12O6S/c1-8(13(14)15)9-2-3-11-7-12(19-20(16,17)18)5-4-10(11)6-9/h2-8H,1H3,(H,14,15)(H,16,17,18)/t8-/m0/s1</inchi>
  <inchikey>BNKMSCMOWGCUOF-QMMMGPOBSA-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>2.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>296.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>296.0354593</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H12O6S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H12O6S/c1-8(13(14)15)9-2-3-11-7-12(19-20(16,17)18)5-4-10(11)6-9/h2-8H,1H3,(H,14,15)(H,16,17,18)/t8-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BNKMSCMOWGCUOF-QMMMGPOBSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226194930&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>184679</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
