<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 08:26:07 UTC</creation_date>
  <update_date>2026-08-23 22:40:29 UTC</update_date>
  <accession/>
  <common_name>1,7-Heptanediol</common_name>
  <class>SmallMolecule</class>
  <description>1,7-Heptanediol belongs to the fatty alcohols, a subclass of fatty acyls within the organic compounds. This organic compound has the chemical formula C7H16O2 and an average molecular weight of 132.20 g/mol. It is classified under the superclass of lipids and lipid-like molecules.

The substance is present in polyvinyl chloride plastics. It is found in or released from ten recorded sources across several sectors. Within household cleaning and consumer products, it occurs in bleaching agents, soap detergents, and perfumes within detergents and soaps. In the building and construction sector, it is associated with roofs and floors. It is also found in food contact materials used in food, cookware, and food processing. Additionally, it is present in electrical and electronic equipment, specifically in hybrid capacitors, fixed capacitors and their manufacture, coils, and television systems. Recorded exposure routes for 1,7-Heptanediol include touch, oral, and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>.alpha.,.omega.-Heptanediol</synonym>
    <synonym>.omega.-Heptanediol</synonym>
    <synonym>1, 7-Dihydroxyheptane</synonym>
    <synonym>1,7-Dihydroxyheptane</synonym>
    <synonym>1,7-HEPTANE-DIOL</synonym>
    <synonym>1,7-HEPTANEDIOL</synonym>
    <synonym>1633482</synonym>
    <synonym>629301</synonym>
    <synonym>alpha,omega-Heptanediol</synonym>
    <synonym>Heptamethylene glycol</synonym>
    <synonym>Heptan-1,7-diol</synonym>
    <synonym>Heptane-1,7-diol</synonym>
    <synonym>Heptane-1,7-diol, 98%</synonym>
    <synonym>HP6</synonym>
    <synonym>OR-0564</synonym>
    <synonym>TL8004323</synonym>
    <synonym>[629-30-1]</synonym>
  </synonyms>
  <chemical_formula>C7H16O2</chemical_formula>
  <average_molecular_weight>132.203</average_molecular_weight>
  <monisotopic_moleculate_weight>132.11503</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>629-30-1</cas_registry_number>
  <smiles>OCCCCCCCO</smiles>
  <inchi>InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2</inchi>
  <inchikey>SXCBDZAEHILGLM-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>0.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>132.203</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>132.11503</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OCCCCCCCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H16O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SXCBDZAEHILGLM-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:0x00007f727ad58b78&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12381</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11875</chemspider_id>
  <kegg_id/>
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