<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 12:42:18 UTC</creation_date>
  <update_date>2026-08-22 18:13:07 UTC</update_date>
  <accession/>
  <common_name>Cyclobutanone</common_name>
  <class>SmallMolecule</class>
  <description>Cyclobutanone is an organic compound with the chemical formula C4H6O1 and an average molecular weight of 70.09 g/mol. Cyclobutanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

This substance is found in or released from 29 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, auxiliary devices, electric switches, electrically stimulated smoking devices, and emergency protective devices, among eight other sources. It is also present in household cleaning and consumer products, including bleaching agents, cigar cigarettes, match receptacles or boxes, non-electric simulated smoking devices, and perfumes within detergents and soaps, along with five additional sources. In the realm of food, food processing, and cookware, cyclobutanone is linked to the processing of meats, fermentation processes for beer, and the preparation of wine or sparkling wine. Furthermore, it is found in building and construction materials such as ceilings, stairs, and ramps, as well as in household items like credit card holders.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Oxocyclobutane</synonym>
    <synonym>1191-95-3?</synonym>
    <synonym>1191953</synonym>
    <synonym>1560289</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>214-745-6</synonym>
    <synonym>Cyclobutanone</synonym>
    <synonym>Cyclobutanone 98%</synonym>
    <synonym>Cyclobutanone, stab. with ca 0.01% BHT</synonym>
    <synonym>InChI=1/C4H6O/c5-4-2-1-3-4/h1-3H</synonym>
    <synonym>MFCD00001332</synonym>
    <synonym>Oxocyclobutane</synonym>
    <synonym>UNII-6PF2SH405U</synonym>
  </synonyms>
  <chemical_formula>C4H6O1</chemical_formula>
  <average_molecular_weight>70.091</average_molecular_weight>
  <monisotopic_moleculate_weight>70.041865</monisotopic_moleculate_weight>
  <iupac_name>cyclobutanone</iupac_name>
  <traditional_iupac>cyclobutanone</traditional_iupac>
  <cas_registry_number>1191-95-3</cas_registry_number>
  <smiles>O=C1CCC1</smiles>
  <inchi>InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2</inchi>
  <inchikey>SHQSVMDWKBRBGB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbonyl compounds</sub_class>
    <direct_parent>Cyclic ketones</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Cyclic ketone</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
    </substituents>
    <molecular_framework>Aliphatic homomonocyclic 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</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.25</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.42</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.82e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>19.57</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-7.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>cyclobutanone</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>70.091</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>70.041865</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C1CCC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H6O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SHQSVMDWKBRBGB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>17.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>19.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>7.59</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/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3968980&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>14496</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13840</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
