<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 10:38:10 UTC</creation_date>
  <update_date>2026-08-17 21:45:30 UTC</update_date>
  <accession/>
  <common_name>3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid is an organic oxygen compound with the formula C10H10O4 and an average molecular weight of 194.19 g/mol. 3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This compound has been identified in one recorded source: indoor air, dust, and atmospheric transport. Based on its presence in these environments, the recorded route of exposure is inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2H,3H,4H-benzo[b]1,4-dioxepin-6-carboxylic acid</synonym>
    <synonym>2H-1,5-Benzodioxepin-6-carboxylic acid, 3,4-dihydro-</synonym>
    <synonym>3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBOXYLIC ACID</synonym>
    <synonym>3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBOXYLICACID</synonym>
    <synonym>3,4-Dihydro-2H-benzo-1,5-dioxepin-6-carboxylic acid</synonym>
    <synonym>3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid</synonym>
    <synonym>3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylicacid</synonym>
    <synonym>[66410-67-1]</synonym>
  </synonyms>
  <chemical_formula>C10H10O4</chemical_formula>
  <average_molecular_weight>194.186</average_molecular_weight>
  <monisotopic_moleculate_weight>194.057909</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>66410-67-1</cas_registry_number>
  <smiles>OC(=O)C1=C2OCCCOC2=CC=C1</smiles>
  <inchi>InChI=1S/C10H10O4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2,(H,11,12)</inchi>
  <inchikey>XUXFXVMZIJMUIO-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>1.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>194.186</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>194.057909</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C1=C2OCCCOC2=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H10O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H10O4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2,(H,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XUXFXVMZIJMUIO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227bc5520&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>2794985</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2073871</chemspider_id>
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