<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-18 13:12:51 UTC</creation_date>
  <update_date>2026-08-18 13:12:51 UTC</update_date>
  <accession/>
  <common_name>2-octylpropanedioic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-octylpropanedioic acid is an organic compound with the formula C11H20O4 and an average molecular weight of 216.27 g/mol. 2-octylpropanedioic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This substance is categorized within the superclass of lipids and lipid-like molecules.

The compound is identified in or released from three recorded sources. These include antennas used in electrical and electronic equipment, fermentation processes for beer within food, food processing and cookware, and bleaching agents used in household cleaning and consumer products.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C11H20O4</chemical_formula>
  <average_molecular_weight>216.27</average_molecular_weight>
  <monisotopic_moleculate_weight>216.1361591</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>760-55-4</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)</inchi>
  <inchikey>QJGNSTCICFBACB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <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>3.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>216.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>216.1361591</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H20O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QJGNSTCICFBACB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72aa450460&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12972</pubchem_compound_id>
  <chembl_id/>
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  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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