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<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 22:09:27 UTC</creation_date>
  <update_date>2026-04-04 22:09:27 UTC</update_date>
  <accession/>
  <common_name>Trimethyladipic acid</common_name>
  <class>SmallMolecule</class>
  <description>Trimethyladipic acid is an organic compound with the chemical formula C9H16O4 and an average molecular weight of 188.22 g/mol. Trimethyladipic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds.

This substance has been identified in or released from three recorded sources. These include building and construction materials, specifically roofs, as well as electrical and electronic equipment, specifically antennas. Additionally, it is found in food, food processing, and cookware, specifically in the processing of meats.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H16O4</chemical_formula>
  <average_molecular_weight>188.223</average_molecular_weight>
  <monisotopic_moleculate_weight>188.104859</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>28472-18-6</cas_registry_number>
  <smiles>CC(CCC(O)=O)C(C)(C)C(O)=O</smiles>
  <inchi>InChI=1/C9H16O4/c1-6(4-5-7(10)11)9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)</inchi>
  <inchikey>GBURUDXSBYGPBL-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>188.223</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>188.104859</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(CCC(O)=O)C(C)(C)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H16O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C9H16O4/c1-6(4-5-7(10)11)9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GBURUDXSBYGPBL-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:0x00007f72269d97f8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>198075</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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