<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 01:35:12 UTC</creation_date>
  <update_date>2026-08-22 18:57:24 UTC</update_date>
  <accession/>
  <common_name>1,2-Butylene oxide</common_name>
  <class>SmallMolecule</class>
  <description>1,2-Butylene oxide (C4H8O) is an organic compound with an average molecular weight of 72.11 g/mol. 1,2-Butylene oxide belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. Industrially, the compound is utilized as a solvent.

The substance is found in or released from 28 recorded sources. Within electrical and electronic equipment, it is associated with antennas, coils, conductors or conductive bodies characterised by the conductive materials, cores yokes or armatures, discharge lamps, and 10 more. In the category of household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, perfumes within detergents and soaps, soap detergents, and tobacco smoke filters. Building and construction sources include fencing as well as sunshades awnings or outside screens. Regarding food, food processing and cookware, it is present in food preservation, processing meats, and fermentation processes for beer. Additionally, it is found in drinking water and water supply, as well as in household items such as coins. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,2-Butyleneoxide</synonym>
    <synonym>1,2-Epoxybutane</synonym>
    <synonym>1,2-epoxybutane</synonym>
    <synonym>2-ethyloxirane</synonym>
    <synonym>Butane, 1,2-epoxy-</synonym>
  </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-ethyloxirane</iupac_name>
  <traditional_iupac>1,2-butyleneoxide</traditional_iupac>
  <cas_registry_number>106-88-7</cas_registry_number>
  <smiles>CCC1CO1</smiles>
  <inchi>InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3</inchi>
  <inchikey>RBACIKXCRWGCBB-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>
      <descriptor>epoxide</descriptor>
    </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>logp</kind>
      <value>0.84</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.06</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.24e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.89</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-ethyloxirane</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>CCC1CO1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H8O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RBACIKXCRWGCBB-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>19.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>8.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</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/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226543400&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7834</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7546</chemspider_id>
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  <biocyc_id/>
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</compound>
