<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 07:11:50 UTC</creation_date>
  <update_date>2026-08-24 16:34:08 UTC</update_date>
  <accession/>
  <common_name>Ethylcyclohexane</common_name>
  <class>SmallMolecule</class>
  <description>Ethylcyclohexane is an organic compound with the chemical formula C8H16 and an average molecular weight of 112.22 g/mol. Ethylcyclohexane belongs to the cycloalkanes, a subclass of saturated hydrocarbons within the organic compounds.

This substance is found in or released from 16 recorded sources across several categories. Within electrical and electronic equipment, it is associated with electric switches, electrically stimulated smoking devices, magnets, line transmission systems, and fixed capacitors and their manufacture, among six other sources. In the realm of household cleaning and consumer products, it is identified in soap detergents, bleaching agents, and tobacco smoke filters. Additionally, ethylcyclohexane is linked to stairs and ramps within building and construction, as well as fermentation processes for beer in food, food processing, and cookware. Regarding plastics, its presence in polystyrene remains inconclusive.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C8H16</chemical_formula>
  <average_molecular_weight>112.216</average_molecular_weight>
  <monisotopic_moleculate_weight>112.125200515</monisotopic_moleculate_weight>
  <iupac_name>ethylcyclohexane</iupac_name>
  <traditional_iupac>ethylcyclohexane</traditional_iupac>
  <cas_registry_number>1678-91-7</cas_registry_number>
  <smiles>CCC1CCCCC1</smiles>
  <inchi>InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3</inchi>
  <inchikey>IIEWJVIFRVWJOD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Saturated hydrocarbons</class>
    <sub_class>Cycloalkanes</sub_class>
    <direct_parent>Cycloalkanes</direct_parent>
    <alternate_parents/>
    <substituents>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Cycloalkane</substituent>
    </substituents>
    <molecular_framework>Aliphatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Hydrocarbons</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>4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.43</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.17e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>ethylcyclohexane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>112.216</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>112.125200515</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC1CCCCC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IIEWJVIFRVWJOD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>36.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</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/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb40af798&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15504</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>14751</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
