<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 07:56:46 UTC</creation_date>
  <update_date>2026-08-22 15:30:25 UTC</update_date>
  <accession/>
  <common_name>Butanediol</common_name>
  <class>SmallMolecule</class>
  <description>Butanediol is an organic compound with the chemical formula C4H10O2 and an average molecular weight of 90.12 g/mol. Butanediol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds.

This substance is found in or released from 17 recorded sources across several diverse categories. Within electrical and electronic equipment, it is associated with antennas, communication cables or conductors, electric hearing aids, emergency protective devices, gas filled discharge tubes with solid cathode, and six additional sources. In the context of food, food processing and cookware, it is linked to the processing of meats and the preparation of wort, wine, or sparkling wine. Furthermore, it is found in building and construction materials, specifically fencing, as well as in household cleaning and consumer products, including other smoking requisites and non electric simulated smoking devices.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H10O2</chemical_formula>
  <average_molecular_weight>90.122</average_molecular_weight>
  <monisotopic_moleculate_weight>90.06807956</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>25265-75-2</cas_registry_number>
  <smiles>CCCC(O)O</smiles>
  <inchi>InChI=1S/C4H10O2/c1-2-3-4(5)6/h4-6H,2-3H2,1H3</inchi>
  <inchikey>CDQSJQSWAWPGKG-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>0.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>90.122</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>90.06807956</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCC(O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H10O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H10O2/c1-2-3-4(5)6/h4-6H,2-3H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CDQSJQSWAWPGKG-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:0x00007f7224b27580&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>165788</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
