<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 22:19:01 UTC</creation_date>
  <update_date>2026-08-31 22:07:43 UTC</update_date>
  <accession/>
  <common_name>2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate</common_name>
  <class>SmallMolecule</class>
  <description>2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 640.94 g/mol, 2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate is a heavy molecule. Its chemical formula is C37H68O8. This compound is found in or released from two recorded sources: electrical and electronic equipment (radio transmission systems) and food, food processing and cookware (food contact materials). Exposure to this substance occurs via touch, oral, and inhalation routes.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C37H68O8</chemical_formula>
  <average_molecular_weight>640.943</average_molecular_weight>
  <monisotopic_moleculate_weight>640.4914191</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3008-50-2</cas_registry_number>
  <smiles>CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC</smiles>
  <inchi>InChI=1/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3</inchi>
  <inchikey>CFRNDJFRRKMHTL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
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    <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>11.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>640.943</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>640.4914191</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C37H68O8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CFRNDJFRRKMHTL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227634c50&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>76366</pubchem_compound_id>
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