<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4918</id>
  <title>T3D4863</title>
  <common-name>1-Hexadecanol</common-name>
  <description>Cetyl alcohol, also known as 1-hexadecanol and palmityl alcohol, is a solid organic compound and a member of the alcohol class of compounds. Its chemical formula is CH3(CH2)15OH. At room temperature, cetyl alcohol takes the form of a waxy white solid or flakes. It belongs to the group of fatty alcohols. With the demise of commercial whaling, cetyl alcohol is no longer primarily produced from whale oil, but instead either as an end-product of the petroleum industry, or produced from vegetable oils such as palm oil and coconut oil. Production of cetyl alcohol from palm oil gives rise to one of its alternative names, palmityl alcohol.</description>
  <cas>36653-82-4</cas>
  <pubchem-id>2682</pubchem-id>
  <chemical-formula>C16H34O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>49.3 °C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>1.34e-05 mg/mL at 25 °C</solubility>
  <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">2014-09-11T05:19:47Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/1-Hexadecanol</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C00823</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>16125</chebi-id>
  <biocyc-id>CPD-348</biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id>PL3</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCO</moldb-smiles>
  <moldb-formula>C16H34O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">242.4406</moldb-average-mass>
  <moldb-mono-mass type="decimal">242.26096571</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB03424</hmdb-id>
  <chembl-id>CHEMBL706</chembl-id>
  <chemspider-id>2581</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>Mihalovici, Ar.; Bors, G.  Preparation of cetyl alcohol.    Curierul Farmaceutic  (1938),  8(No. 6),  1-9. </synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
