<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4955</id>
  <title>T3D4900</title>
  <common-name>1-Hexanol</common-name>
  <description>1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mown grass. It is used in the perfume industry.</description>
  <cas>111-27-3</cas>
  <pubchem-id>8103</pubchem-id>
  <chemical-formula>C6H14O</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-44.6 °C</melting-point>
  <boiling-point>136°C (276.8°F)</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:21:27Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:59Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/1-hexanol</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C00854</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>113441</chebi-id>
  <biocyc-id>CPD-883</biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id>HE2</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCO</moldb-smiles>
  <moldb-formula>C6H14O</moldb-formula>
  <moldb-inchi>InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=ZSIAUFGUXNUGDI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">102.1748</moldb-average-mass>
  <moldb-mono-mass type="decimal">102.10446507</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Liquid</state>
  <logp>2.03</logp>
  <hmdb-id>HMDB12971</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>7812</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>
