<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:05:46 UTC</creation_date>
  <update_date>2025-11-18 22:51:12 UTC</update_date>
  <accession>FDB003358</accession>
  <name>Oxirane</name>
  <description>Ethylene Oxide, also known as 1,2-epoxyethane or aethylenoxid, belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three atom rings (one oxygen and two carbon atoms). Ethylene oxide is a colorless and flammable gas with a faintly sweet odor. It is industrially produced by oxidation of ethylene in the presence of a silver catalyst. Ethylene oxide is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Ethylene oxide is used for making a wide range of products. It is also used for the sterilization surgical equipment or supplies that require sterile conditions but are heat sensitive or unable to be placed inside an autoclave. Ehtylene oxide is also considered a plant growth regulator and signalling molecule, being directly linked to the maturation and senescence of some plant organs and fruits.</description>
  <synonyms>
    <synonym>&amp;alpha;,&amp;beta;-oxidoethane</synonym>
    <synonym>1,2-Epoxyaethan</synonym>
    <synonym>1,2-Epoxyethane</synonym>
    <synonym>Aethylenoxid</synonym>
    <synonym>Amprolene</synonym>
    <synonym>Anprolene</synonym>
    <synonym>Anproline</synonym>
    <synonym>D.E.R. 732 epoxy resin</synonym>
    <synonym>D.E.R. 736 epoxy resin</synonym>
    <synonym>Dihydrooxirene</synonym>
    <synonym>Dimethylene oxide</synonym>
    <synonym>E.o.</synonym>
    <synonym>Epoxyethane</synonym>
    <synonym>Ethene oxide</synonym>
    <synonym>Ethox</synonym>
    <synonym>Ethyleenoxide</synonym>
    <synonym>Ethylene oxide</synonym>
    <synonym>Ethylene oxide, 8CI</synonym>
    <synonym>ETO</synonym>
    <synonym>Etylenu tlenek</synonym>
    <synonym>FEMA 2433</synonym>
    <synonym>Merpol</synonym>
    <synonym>Oxacyclopropane</synonym>
    <synonym>Oxide, ethylene</synonym>
    <synonym>Oxidoethane</synonym>
    <synonym>Oxiraan</synonym>
    <synonym>Oxiran</synonym>
    <synonym>Oxirene, dihydro-</synonym>
    <synonym>Oxyfume</synonym>
    <synonym>Oxyfume 12</synonym>
    <synonym>Polypropylene glycol, (chloromethyl)oxirane polymer</synonym>
    <synonym>Qazi-ketcham</synonym>
    <synonym>Sterilizing gas ethylene oxide 100%</synonym>
    <synonym>T-gas</synonym>
  </synonyms>
  <chemical_formula>C2H4O</chemical_formula>
  <average_molecular_weight>44.0526</average_molecular_weight>
  <monisotopic_moleculate_weight>44.02621475</monisotopic_moleculate_weight>
  <iupac_name>oxirane</iupac_name>
  <traditional_iupac>ethylene oxide</traditional_iupac>
  <cas_registry_number>75-21-8</cas_registry_number>
  <smiles>C1CO1</smiles>
  <inchi>InChI=1S/C2H4O/c1-2-3-1/h1-2H2</inchi>
  <inchikey>IAYPIBMASNFSPL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).</description>
    <direct_parent>Epoxides</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Epoxides</class>
    <sub_class/>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
    </alternative_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>
    <external_descriptors>
      <external_descriptor>oxacycle</external_descriptor>
      <external_descriptor>saturated organic heteromonocyclic parent</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.47</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.82</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.94e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp -111.7°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.047</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-4.2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>oxirane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>44.0526</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>44.02621475</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>C1CO1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C2H4O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C2H4O/c1-2-3-1/h1-2H2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>IAYPIBMASNFSPL-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>11.04</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.42</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>2613</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>102859</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>126989</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>482</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>71070</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>71071</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>71072</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>129684</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>129685</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>129686</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB31305</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>27561</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
