<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 08:07:04 UTC</creation_date>
  <update_date>2026-08-22 17:41:42 UTC</update_date>
  <accession/>
  <common_name>2-Butyne</common_name>
  <class>SmallMolecule</class>
  <description>2-Butyne is an organic compound with the chemical formula C4H6 and an average molecular weight of 54.09 g/mol. 2-Butyne belongs to the acetylenes, a subclass of unsaturated hydrocarbons within the organic compounds.

This substance is found in or released from 30 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, coils, communication cables or conductors, adjustable resistors, and 16 additional sources. In the realm of household cleaning and consumer products, 2-Butyne is linked to soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Additionally, the compound is present in food, food processing, and cookware, specifically in processing meats, food preservation, and fermentation processes for beer. It is also found in building and construction materials, such as tents or canopies.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1361340</synonym>
    <synonym>2-Butyne</synonym>
    <synonym>207-962-2</synonym>
    <synonym>503173</synonym>
    <synonym>acetylene, dimethyl-</synonym>
    <synonym>But-2-yne</synonym>
    <synonym>butyne, 2-</synonym>
    <synonym>CH3C.$.CCH3</synonym>
    <synonym>Crotonylene</synonym>
    <synonym>Crotonylene [UN1144]  [Flammable liquid]</synonym>
    <synonym>Dimethyl acetylene</synonym>
    <synonym>Dimethylacetylene</synonym>
    <synonym>Dimethylacetylene, Crotonylene</synonym>
    <synonym>EINECS 207-962-2</synonym>
    <synonym>InChI=1/C4H6/c1-3-4-2/h1-2H</synonym>
    <synonym>MFCD00009275</synonym>
    <synonym>UN 1144</synonym>
    <synonym>UNII-LKE6D3018E</synonym>
    <synonym>UNII:LKE6D3018E</synonym>
    <synonym>[503-17-3]</synonym>
  </synonyms>
  <chemical_formula>C4H6</chemical_formula>
  <average_molecular_weight>54.092</average_molecular_weight>
  <monisotopic_moleculate_weight>54.04695</monisotopic_moleculate_weight>
  <iupac_name>but-2-yne</iupac_name>
  <traditional_iupac>2-butyne</traditional_iupac>
  <cas_registry_number>503-17-3</cas_registry_number>
  <smiles>CC#CC</smiles>
  <inchi>InChI=1S/C4H6/c1-3-4-2/h1-2H3</inchi>
  <inchikey>XNMQEEKYCVKGBD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Unsaturated hydrocarbons</class>
    <sub_class>Acetylenes</sub_class>
    <direct_parent>Terminal alkynes</direct_parent>
    <alternate_parents>
      <alternative_parent>Unsaturated aliphatic hydrocarbons</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Monosubstituted alkyne</substituent>
      <substituent>Unsaturated aliphatic hydrocarbon</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</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>logp</kind>
      <value>1.70</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.60e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.83</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>but-2-yne</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>54.092</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>54.04695</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC#CC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H6/c1-3-4-2/h1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XNMQEEKYCVKGBD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>19.57</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>7.09</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10419</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>9990</chemspider_id>
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</compound>
