<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 08:17:35 UTC</creation_date>
  <update_date>2026-08-23 01:26:22 UTC</update_date>
  <accession/>
  <common_name>1-Pentyne</common_name>
  <class>SmallMolecule</class>
  <description>1-Pentyne is an organic compound with the chemical formula C5H8 and an average molecular weight of 68.12 g/mol. 1-Pentyne belongs to the acetylides, a superclass within the organic compounds.

This substance is found in or released from 15 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, auxiliary devices, discharge lamps, electric switches, emergency protective devices, and four additional sources. It is also present in household cleaning and consumer products, specifically in bleaching agents, cigar cigarettes, soap detergents, and perfumes within detergents and soaps. Furthermore, 1-pentyne is linked to food, food processing, and cookware, where it occurs in processing meats and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Pentin</synonym>
    <synonym>1-Pentyne</synonym>
    <synonym>1-PENTYNE, 97%</synonym>
    <synonym>1-PENTYNE, 99%</synonym>
    <synonym>1697133</synonym>
    <synonym>210-987-1</synonym>
    <synonym>4-pentyne</synonym>
    <synonym>627190</synonym>
    <synonym>Acetylene, propyl-</synonym>
    <synonym>C3H7C.$.CH</synonym>
    <synonym>Ethylmethylacetylene</synonym>
    <synonym>MFCD00009469</synonym>
    <synonym>Pent-1-in</synonym>
    <synonym>Pent-1-yne</synonym>
    <synonym>Pent-1-yne 99%</synonym>
    <synonym>Pentyne, 1-</synonym>
    <synonym>Propylacetylene</synonym>
    <synonym>[627-19-0]</synonym>
  </synonyms>
  <chemical_formula>C5H8</chemical_formula>
  <average_molecular_weight>68.119</average_molecular_weight>
  <monisotopic_moleculate_weight>68.0626</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>627-19-0</cas_registry_number>
  <smiles>CCCC#C</smiles>
  <inchi>InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3</inchi>
  <inchikey>IBXNCJKFFQIKKY-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>2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>68.119</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>68.0626</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCC#C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IBXNCJKFFQIKKY-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:0x00007f727aa54f80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12309</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11806</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
