<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 10:41:19 UTC</creation_date>
  <update_date>2026-08-19 00:55:00 UTC</update_date>
  <accession/>
  <common_name>4-Chlorobutyl 3,4-dimethoxybenzoate</common_name>
  <class>SmallMolecule</class>
  <description>4-Chlorobutyl 3,4-dimethoxybenzoate is an organic compound with the formula C13H17Cl1O4 and an average molecular weight of 272.73 g/mol. 4-Chlorobutyl 3,4-dimethoxybenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from one recorded source, which is drinking water and water supply. The recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'69788-75-6</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>2758942</synonym>
    <synonym>4-Chlorobutyl 3,4-dimethoxybenzoate</synonym>
    <synonym>4-Chlorobutyl veratrate</synonym>
    <synonym>4-Chlorobutyl3,4-dimethoxybenzoate</synonym>
    <synonym>410-950-1</synonym>
    <synonym>Benzoic acid, 3,4-dimethoxy-, 4-chlorobutyl ester</synonym>
    <synonym>G4OVR CO1 DO1</synonym>
    <synonym>veratric acid 4-chlorobutyl ester</synonym>
    <synonym>[69788-75-6]</synonym>
  </synonyms>
  <chemical_formula>C13H17Cl1O4</chemical_formula>
  <average_molecular_weight>272.73</average_molecular_weight>
  <monisotopic_moleculate_weight>272.081537</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>69788-75-6</cas_registry_number>
  <smiles>COC1=C(OC)C=C(C=C1)C(=O)OCCCCCl</smiles>
  <inchi>InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3</inchi>
  <inchikey>VDKIZIBOFDIQRW-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>
    <property>
      <kind>logp</kind>
      <value>3.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>272.73</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>272.081537</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=C(OC)C=C(C=C1)C(=O)OCCCCCl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H17Cl1O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VDKIZIBOFDIQRW-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:0x00007f722333c948&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12843121</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>15246691</chemspider_id>
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