<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 12:04:28 UTC</creation_date>
  <update_date>2026-08-22 18:57:30 UTC</update_date>
  <accession/>
  <common_name>2,3-epoxybutane</common_name>
  <class>SmallMolecule</class>
  <description>2,3-epoxybutane belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C4H8O and an average molecular weight of 72.11 g/mol. 

The substance is found in or released from 23 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, cores yokes or armatures, electric switches, electrically stimulated smoking devices, and fixed capacitors and their manufacture, among four other sources. It is present in household cleaning and consumer products, including soap dispensers, bleaching agents, cigar cigarettes, other smoking requisites, and tobacco smoke filters. In the context of food, food processing and cookware, 2,3-epoxybutane is linked to the processing of meats, the preparation of wort, the preparation of malt, and fermentation processes for beer. Additionally, it is found in building and construction materials such as stairs and ramps, roofs, and ceilings. Other recorded sources include drinking water and water supply, as well as household items like watch chains. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H8O</chemical_formula>
  <average_molecular_weight>72.107</average_molecular_weight>
  <monisotopic_moleculate_weight>72.057514878</monisotopic_moleculate_weight>
  <iupac_name>2,3-dimethyloxirane</iupac_name>
  <traditional_iupac>butylene oxide</traditional_iupac>
  <cas_registry_number>3266-23-7</cas_registry_number>
  <smiles>CC1OC1C</smiles>
  <inchi>InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3</inchi>
  <inchikey>PQXKWPLDPFFDJP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Epoxides</class>
    <sub_class/>
    <direct_parent>Epoxides</direct_parent>
    <alternate_parents>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxirane</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteromonocyclic 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>0.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.66</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.03</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.67e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,3-dimethyloxirane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>72.107</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>72.057514878</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1OC1C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H8O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PQXKWPLDPFFDJP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>12.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>19.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>8.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72812cb370&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>18632</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>17595</chemspider_id>
  <kegg_id/>
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</compound>
