<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3508</id>
  <title>T3D3466</title>
  <common-name>Methylcyclopentane</common-name>
  <description>Methylcyclopentane is isolated from Helianthus annuus (sunflower) Methylcyclopentane belongs to the family of Cycloalkanes. These are alkanes containing one or more rings of carbon atoms.</description>
  <cas>96-37-7</cas>
  <pubchem-id>7296</pubchem-id>
  <chemical-formula>C6H12</chemical-formula>
  <weight>84.093900</weight>
  <appearance nil="true"/>
  <melting-point>-139.8°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.042 mg/mL at 25°C [MCAULIFFE,C (1966)]</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 nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>Methylcyclopentane is found in gasoline, which is possibly carcinogenic to humans (Group 2B). (L135)</carcinogenicity>
  <use-source>Methylcyclopentane is a component of gasoline.</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">2009-07-30T17:58:31Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:06Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id>CPD-730</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Methylcyclopentane</stitch-id>
  <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>CC1CCCC1</moldb-smiles>
  <moldb-formula>C6H12</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=GDOPTJXRTPNYNR-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>3.37</logp>
  <hmdb-id>HMDB31542</hmdb-id>
  <chembl-id>CHEMBL30940</chembl-id>
  <chemspider-id>7024</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"/>
</compound>
