<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4754</id>
  <title>T3D4699</title>
  <common-name>Isopropyl alcohol</common-name>
  <description>Isopropyl alcohol or 2-propanol is an isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic. Small amounts of this alcohol are produced naturally by gut microbial flora.</description>
  <cas>67-63-0</cas>
  <pubchem-id>3776</pubchem-id>
  <chemical-formula>C3H8O</chemical-formula>
  <weight>60.1</weight>
  <appearance></appearance>
  <melting-point>-89.5°C</melting-point>
  <boiling-point>82.3°C</boiling-point>
  <density nil="true"/>
  <solubility>1E+006 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>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic. Small amounts of this alcohol are produced naturally by gut microbial flora.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T02:05:30Z</created-at>
  <updated-at type="dateTime">2026-04-17T18:20:28Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Isopropyl alcohol</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C01845</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>17824</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB02325</drugbank-id>
  <pdb-id>IOH</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)O</moldb-smiles>
  <moldb-formula>C3H8O</moldb-formula>
  <moldb-inchi>InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3</moldb-inchi>
  <moldb-inchikey>KFZMGEQAYNKOFK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">60.095</moldb-average-mass>
  <moldb-mono-mass type="decimal">60.057514878</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>0.05</logp>
  <hmdb-id>HMDB00863</hmdb-id>
  <chembl-id>CHEMBL582</chembl-id>
  <chemspider-id>3644</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;http://en.wikipedia.org/wiki/Alcohol#Laboratory_synthesis&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003657</chemdb-id>
  <dsstox-id>DTXSID7020762</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>propan-2-ol</iupac>
</compound>
