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<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 09:17:31 UTC</creation_date>
  <update_date>2026-05-21 09:59:07 UTC</update_date>
  <accession/>
  <common_name>(S)-hexobarbital</common_name>
  <class>SmallMolecule</class>
  <description>(S)-hexobarbital belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This compound is identified as part of the organoheterocyclic compounds superclass.

It has been found in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, 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 recorded in the food, food processing and cookware sector, specifically in food packaging. Additionally, (S)-hexobarbital is linked to the healthcare, pharmaceuticals and veterinary products sector via medical devices. The compound is further identified in lubricants used within the energy, oil and gas sector, as well as lubricants used in industrial manufacturing and chemical processing. It is also present in one additional sector. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula/>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7245-04-7</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1</inchi>
  <inchikey>UYXAWHWODHRRMR-LBPRGKRZSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
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      <kind>inchi</kind>
      <value>InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UYXAWHWODHRRMR-LBPRGKRZSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7036944</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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