46379 <common-name>chlorocyclohexane</common-name> <description>Chlorocyclohexane is an organic compound with the chemical formula C6H11Cl and an average molecular weight of 118.60 g/mol. chlorocyclohexane belongs to the cyclohexyl halides, a subclass of alkyl halides within the organic compounds. This substance has been identified in or released from nine recorded sources. These include drinking water and water supply, specifically drinking water. Within the category of household cleaning and consumer products, it is found in soap detergents and perfumes within detergents and soaps. Additionally, it is associated with electrical and electronic equipment, including antennas, electrodes, fixed capacitors and their manufacture, amplifiers, and conductors or conductive bodies characterised by the conductive materials. The recorded exposure route for chlorocyclohexane is oral.</description> <cas>542-18-7</cas> <pubchem-id>10952</pubchem-id> <chemical-formula>C6H11Cl</chemical-formula> <weight>118.6</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T13:00:47Z</created-at> <updated-at type="dateTime">2026-08-23T04:50:21Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>ClC1CCCCC1</moldb-smiles> <moldb-formula>C6H11Cl</moldb-formula> <moldb-inchi>InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2</moldb-inchi> <moldb-inchikey>UNFUYWDGSFDHCW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">118.6</moldb-average-mass> <moldb-mono-mass type="decimal">118.0549281</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10487</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM045274</chemdb-id> <dsstox-id>DTXSID3052193</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007741</stoff-ident-id> <susdat-id>NS00009219</susdat-id> <iupac>chlorocyclohexane</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>32.326499999999996</moldb-refractivity> <moldb-polarizability>13.176327102407246</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>3.22</moldb-alogps-logp> <moldb-alogps-logs>-3.16</moldb-alogps-logs> <moldb-alogps-solubility>8.14e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Alkyl halides</klass> <subklass>Cyclohexyl halides</subklass> <paper-count type="integer">493</paper-count> <sync-id>CED0011157</sync-id> <structure-inchikey>UNFUYWDGSFDHCW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000020000000000020000000000100800000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000400000000008000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000000000400000000000000000008000000000010000000000042000200004200000004420002000008011000002000000100000008042000000000100400000020000000000000000002000040000000000400000400000002000001000002000110800000411000200400000040000000800000008000000100c00424400000000000800000000008001000000008000000008000000020002c0000000400840000000000000001000000000040000000100000000000000000000000008400000000000080000000000080000000000000000000000000000000000004000020000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��� ������`�������`�������`�������`�������`�������`���������������������������B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:27Z</structure-indexed-at> </compound>