<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 06:04:09 UTC</creation_date>
  <update_date>2026-08-21 20:09:37 UTC</update_date>
  <accession/>
  <common_name>Tetradecyl benzoate</common_name>
  <class>SmallMolecule</class>
  <description>Tetradecyl benzoate is an organic compound with the formula C21H34O2 and an average molecular weight of 318.50 g/mol. Tetradecyl benzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from one recorded source: indoor air, dust, and atmospheric transport. The recorded route of exposure for this compound is inhalation.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H34O2</chemical_formula>
  <average_molecular_weight>318.501</average_molecular_weight>
  <monisotopic_moleculate_weight>318.2558803</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>70682-72-3</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1</smiles>
  <inchi>InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3</inchi>
  <inchikey>YQOBYINWABKLFC-UHFFFAOYSA-N</inchikey>
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    <kingdom/>
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    <sub_class/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>318.501</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>318.2558803</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H34O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YQOBYINWABKLFC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>64671</pubchem_compound_id>
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