<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3509</id>
  <title>T3D3467</title>
  <common-name>Cyclohexane</common-name>
  <description>Cyclohexane is found in kohlrabi. Diluent in colour additive mixtures for food useCyclohexane has been shown to exhibit beta-oxidant, anti-nociceptive and antibiotic functions (A7840, A7841, A7842).Cyclohexane belongs to the family of Cycloalkanes. These are alkanes containing one or more rings of carbon atoms.</description>
  <cas>110-82-7</cas>
  <pubchem-id>8078</pubchem-id>
  <chemical-formula>C6H12</chemical-formula>
  <weight>84.093900</weight>
  <appearance nil="true"/>
  <melting-point>6.5°C</melting-point>
  <boiling-point>80.7°C (177.3°F)</boiling-point>
  <density nil="true"/>
  <solubility>0.055 mg/mL at 25°C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L400) ; inhalation (L400) ; dermal  (L400)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)</mechanism-of-toxicity>
  <metabolism>Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)</metabolism>
  <toxicity>LD50: 1.30 g/kg (Oral, Mouse) (T21)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>Cyclohexane is found in gasoline, which is possibly carcinogenic to humans (Group 2B). (L135)</carcinogenicity>
  <use-source>Cyclohexane is a component of gasoline and is used as a solvent in the chemical industry, and also as a raw material for the industrial production of adipic acid and caprolactam, both of which are intermediates used in the production of nylon. (L1299)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)</health-effects>
  <symptoms>Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)</symptoms>
  <treatment>Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)</treatment>
  <created-at type="dateTime">2009-07-30T17:58:32Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:33:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Cyclohexane</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11249</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>29005</chebi-id>
  <biocyc-id>CPD-8232</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Cyclohexane</stitch-id>
  <drugbank-id>DB03561</drugbank-id>
  <pdb-id>CHX</pdb-id>
  <actor-id>1847</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1CCCCC1</moldb-smiles>
  <moldb-formula>C6H12</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2</moldb-inchi>
  <moldb-inchikey>XDTMQSROBMDMFD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">84.1595</moldb-average-mass>
  <moldb-mono-mass type="decimal">84.093900384</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>3.44</logp>
  <hmdb-id>HMDB29597</hmdb-id>
  <chembl-id>CHEMBL15980</chembl-id>
  <chemspider-id>7787</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference>&lt;p&gt;Brian J. Willis, Philip A. Christenson, Robert Mack, &amp;#8220;Halogen containing cyclohexane derivatives, methods of preparation and compositions containing same.&amp;#8221; U.S. Patent US4308401, issued July, 1934.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002496</chemdb-id>
  <dsstox-id>DTXSID4021923</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00003725</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>0.0</moldb-polar-surface-area>
  <moldb-refractivity>27.605999999999998</moldb-refractivity>
  <moldb-polarizability>11.069360810704952</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.46</moldb-alogps-logp>
  <moldb-alogps-logs>-3.33</moldb-alogps-logs>
  <moldb-alogps-solubility>3.93e-02 g/l</moldb-alogps-solubility>
</compound>
