<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3493</id>
  <title>T3D3451</title>
  <common-name>3-Ethyl-2-methylpentane</common-name>
  <description>3-Ethyl-2-methylpentane is an exogenous organic compound with the chemical formula C8H18 and an average molecular weight of 114.23 g/mol. At room temperature, this substance exists as a liquid. 3-Ethyl-2-methylpentane belongs to the alkanes, a subclass of saturated hydrocarbons within the organic compounds.

The compound is associated with 12 recorded sources. Within the category of electrical and electronic equipment, it is found in or released from antennas, conductors or conductive bodies characterised by the conductive materials, electric switches, emergency protective devices, and hybrid capacitors, among four other sources. It is also linked to household cleaning and consumer products, specifically bleaching agents and tobacco smoke filters. Additionally, it is found in food preservation within the category of food, food processing, and cookware.</description>
  <cas>609-26-7</cas>
  <pubchem-id>11863</pubchem-id>
  <chemical-formula>C8H18</chemical-formula>
  <weight>114.140850</weight>
  <appearance>Colorless liquid.</appearance>
  <melting-point>-114.9°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Octanes may be found in gasoline. (L1296)</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">2009-07-30T17:58:24Z</created-at>
  <updated-at type="dateTime">2026-08-24T17:47:58Z</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-285</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>3-Ethyl-2-methylpentane</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>CCC(CC)C(C)C</moldb-smiles>
  <moldb-formula>C8H18</moldb-formula>
  <moldb-inchi>InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3</moldb-inchi>
  <moldb-inchikey>DUPUVYJQZSLSJB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">114.2285</moldb-average-mass>
  <moldb-mono-mass type="decimal">114.140850576</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>11370</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002480</chemdb-id>
  <dsstox-id>DTXSID40880424</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00043243</susdat-id>
  <iupac>3-ethyl-2-methylpentane</iupac>
  <moldb-polar-surface-area>0</moldb-polar-surface-area>
  <moldb-refractivity>38.5054</moldb-refractivity>
  <moldb-polarizability>15.713448543396874</moldb-polarizability>
  <moldb-rotatable-bond-count>3</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>0</moldb-number-of-rings>
  <moldb-alogps-logp>4.61</moldb-alogps-logp>
  <moldb-alogps-logs>-4.18</moldb-alogps-logs>
  <moldb-alogps-solubility>7.52e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Hydrocarbons</superklass>
  <klass>Saturated hydrocarbons</klass>
  <subklass>Alkanes</subklass>
  <paper-count type="integer">7</paper-count>
  <sync-id>CED0038897</sync-id>
  <structure-inchikey>DUPUVYJQZSLSJB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000400100000000000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000100000000000000000000400000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>104000000200040000000004000000000800000000001000080000004200004008c00010000442000a000008011000000000000000000000062000000000000400000220000000000000000042000000000000000000000400000002000801000000004110800000010000200400000040000000800000008000000100400024400000000000800000000000001000000004000000008000020001002c0000000000800000000000000000000000000040000000000000000000000000000000000400000000000080000000000080000000000000000000000000000000000004000000000000050000000</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:46Z</structure-indexed-at>
</compound>
