<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:55:04 UTC</creation_date>
  <update_date>2026-08-23 05:25:25 UTC</update_date>
  <accession/>
  <common_name>Cyclohexanone oxime</common_name>
  <class>SmallMolecule</class>
  <description>Cyclohexanone oxime is an organic nitrogen compound with the chemical formula $\text{C}_6\text{H}_{11}\text{NO}$ and an average molecular weight of 113.16 g/mol. Cyclohexanone oxime belongs to the oximes, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, this compound is used in the production of polyamide plastics.

The substance has been identified in or released from 15 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, conductors or conductive bodies characterised by the conductive materials, discharge lamps, electrodes, fixed capacitors and their manufacture, and two additional sources. It is found in food, food processing and cookware, specifically regarding food contact materials, food preservation, and fermentation processes for beer. In the realm of household cleaning and consumer products, it is linked to ash trays, soap detergents, and perfumes within detergents and soaps. Additionally, it has been recorded in drinking water and water supply, as well as in building and construction materials such as stairs and ramps. Human exposure to cyclohexanone oxime can occur through inhalation, oral ingestion, or touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>N-cyclohexylidenehydroxylamine</synonym>
  </synonyms>
  <chemical_formula>C6H11NO</chemical_formula>
  <average_molecular_weight>113.16</average_molecular_weight>
  <monisotopic_moleculate_weight>113.084063978</monisotopic_moleculate_weight>
  <iupac_name>N-cyclohexylidenehydroxylamine</iupac_name>
  <traditional_iupac>cyclohexanone oxime</traditional_iupac>
  <cas_registry_number>100-64-1</cas_registry_number>
  <smiles>ON=C1CCCCC1</smiles>
  <inchi>InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2</inchi>
  <inchikey>VEZUQRBDRNJBJY-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Oximes</sub_class>
    <direct_parent>Ketoximes</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketoxime</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organopnictogen compound</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>1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.28</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.99e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>11.96</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>3.26</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N-cyclohexylidenehydroxylamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>113.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>113.084063978</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ON=C1CCCCC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H11NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VEZUQRBDRNJBJY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>32.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>32.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>12.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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:0x00007f72266c6f48&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7517</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7236</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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</compound>
