<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4816</id>
  <title>T3D4761</title>
  <common-name>Butylbenzene</common-name>
  <description>Butylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.</description>
  <cas>104-51-8</cas>
  <pubchem-id>7705</pubchem-id>
  <chemical-formula>C10H14</chemical-formula>
  <weight>134.22</weight>
  <appearance></appearance>
  <melting-point>-87.9°C</melting-point>
  <boiling-point>183.3°C</boiling-point>
  <density nil="true"/>
  <solubility>11.8 mg/L (at 25°C)</solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T05:15:28Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:03:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18150</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>44194</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB01845</drugbank-id>
  <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>CCCCC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C10H14</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3</moldb-inchi>
  <moldb-inchikey>OCKPCBLVNKHBMX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">134.2182</moldb-average-mass>
  <moldb-mono-mass type="decimal">134.109550448</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>4.38</logp>
  <hmdb-id>HMDB59812</hmdb-id>
  <chembl-id>CHEMBL195441</chembl-id>
  <chemspider-id>7419</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>CHEM003718</chemdb-id>
  <dsstox-id>DTXSID6022472</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001482</susdat-id>
  <iupac>butylbenzene</iupac>
</compound>
