<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 12:05:29 UTC</creation_date>
  <update_date>2026-08-23 04:28:11 UTC</update_date>
  <accession/>
  <common_name>Adipic dialdehyde</common_name>
  <class>SmallMolecule</class>
  <description>Adipic dialdehyde is an organic oxygen compound with the chemical formula C6H10O2 and an average molecular weight of 114.14 g/mol. Adipic dialdehyde belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from two recorded sources associated with food, food processing, and cookware, specifically during the processing of meats and the preparation of wine or sparkling wine.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>214-003-1</synonym>
    <synonym>Adipaldehyde</synonym>
    <synonym>Adipic dialdehyde</synonym>
    <synonym>BR-46665</synonym>
    <synonym>Hexanedial</synonym>
    <synonym>[1072-21-5]</synonym>
  </synonyms>
  <chemical_formula>C6H10O2</chemical_formula>
  <average_molecular_weight>114.144</average_molecular_weight>
  <monisotopic_moleculate_weight>114.06808</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1072-21-5</cas_registry_number>
  <smiles>O=CCCCCC=O</smiles>
  <inchi>InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2</inchi>
  <inchikey>UMHJEEQLYBKSAN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbonyl compounds</sub_class>
    <direct_parent>Medium-chain aldehydes</direct_parent>
    <alternate_parents>
      <alternative_parent>Alpha-hydrogen aldehydes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha-hydrogen aldehyde</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Medium-chain aldehyde</substituent>
      <substituent>Organic oxide</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Fatty aldehydes</descriptor>
    </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>-0.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>114.144</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>114.06808</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=CCCCCC=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H10O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UMHJEEQLYBKSAN-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:0x00007f7227e37bc8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>70620</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>63788</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <general_references/>
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</compound>
