<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:54:43 UTC</creation_date>
  <update_date>2026-08-19 00:41:33 UTC</update_date>
  <accession/>
  <common_name>Methanone, (1-hydroxycyclohexyl)phenyl-</common_name>
  <class>SmallMolecule</class>
  <description>Methanone, (1-hydroxycyclohexyl)phenyl- is an organic oxygen compound with the formula C13H16O2 and an average molecular weight of 204.27 g/mol. Methanone, (1-hydroxycyclohexyl)phenyl- belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

In industrial applications, this compound is utilized as a binder and as a photosensitizer. It has been identified in 26 recorded sources across diverse environments. Within the category of electrical and electronic equipment, it is found in antennas, coils, contacts, auxiliary devices, and communication cables or conductors, among 11 other items. In building and construction, it occurs in floors, ceilings, fencing, and ladders. It is also present in household cleaning and consumer products, specifically in pipe accessories, cigar cigarettes, and ash trays. Furthermore, the compound is detected in indoor air, drinking water, and water supply, as well as in food contact materials used in food processing and cookware. Recorded exposure routes for the substance include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(1-Hydroxycyclohexyl)(phenyl)methanone</synonym>
    <synonym>1-benzoylcyclohexan-1-ol</synonym>
    <synonym>hydroxycyclohexyl phenyl ketone</synonym>
  </synonyms>
  <chemical_formula>C13H16O2</chemical_formula>
  <average_molecular_weight>204.269</average_molecular_weight>
  <monisotopic_moleculate_weight>204.115029755</monisotopic_moleculate_weight>
  <iupac_name>1-benzoylcyclohexan-1-ol</iupac_name>
  <traditional_iupac>1-benzoylcyclohexan-1-ol</traditional_iupac>
  <cas_registry_number>947-19-3</cas_registry_number>
  <smiles>OC1(CCCCC1)C(=O)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2</inchi>
  <inchikey>QNODIIQQMGDSEF-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>Alkyl-phenylketones</direct_parent>
    <alternate_parents>
      <alternative_parent>Alpha-hydroxy ketones</alternative_parent>
      <alternative_parent>Aryl alkyl ketones</alternative_parent>
      <alternative_parent>Benzoyl derivatives</alternative_parent>
      <alternative_parent>Cyclic alcohols and derivatives</alternative_parent>
      <alternative_parent>Cyclohexanols</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Alkyl-phenylketone</substituent>
      <substituent>Alpha-hydroxy ketone</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl alkyl ketone</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Benzoyl</substituent>
      <substituent>Cyclic alcohol</substituent>
      <substituent>Cyclohexanol</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Tertiary alcohol</substituent>
    </substituents>
    <molecular_framework>Aromatic 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>2.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.04</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.44</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.42e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>12.98</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1-benzoylcyclohexan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>204.269</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>204.115029755</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC1(CCCCC1)C(=O)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H16O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QNODIIQQMGDSEF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>37.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>59.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>22.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</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/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722216c628&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>70355</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>63536</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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</compound>
