<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 15:46:16 UTC</creation_date>
  <update_date>2026-08-22 15:46:16 UTC</update_date>
  <accession/>
  <common_name>Buta-1,3-diyne</common_name>
  <class>SmallMolecule</class>
  <description>Buta-1,3-diyne is an organic compound with the chemical formula C4H2 and an average molecular weight of 50.06 g/mol. Buta-1,3-diyne belongs to the acetylides, a superclass within the organic compounds.

This substance is found in or released from 20 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, adjustable resistors, communication cables or conductors, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among nine other sources. In the realm of household cleaning and consumer products, it is found in tobacco smoke filters, cigar cigarettes, other smoking requisites, and perfumes within detergents and soaps. Additionally, it is present in food, food processing, and cookware, specifically occurring in food preservation and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H2</chemical_formula>
  <average_molecular_weight>50.06</average_molecular_weight>
  <monisotopic_moleculate_weight>50.01565006</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>460-12-8</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C4H2/c1-3-4-2/h1-2H</inchi>
  <inchikey>LLCSWKVOHICRDD-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>50.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>50.01565006</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H2/c1-3-4-2/h1-2H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LLCSWKVOHICRDD-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:0x00007f726752d718&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>9997</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <biocyc_id/>
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  <wikipidia/>
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