<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4901</id>
  <title>T3D4846</title>
  <common-name>Methyl dodecanoate</common-name>
  <description>Methyl dodecanoate is found in alcoholic beverages. Methyl dodecanoate is found in concord grape (Vitis labrusca), melon, pineapple, heated blackberry, red chilli (Capsicum frutescens) and other fruits. Also present in cheeses, hop oil, white wine, spirits and other foodstuffs. Methyl dodecanoate is a flavouring agent. 

Methyl dodecanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.</description>
  <cas>111-82-0</cas>
  <pubchem-id>8139</pubchem-id>
  <chemical-formula>C13H26O2</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>5 °C</melting-point>
  <boiling-point nil="true"/>
  <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">2014-09-11T05:19:01Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCC(=O)OC</moldb-smiles>
  <moldb-formula>C13H26O2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=UQDUPQYQJKYHQI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">214.3443</moldb-average-mass>
  <moldb-mono-mass type="decimal">214.193280076</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>5.41</logp>
  <hmdb-id>HMDB31018</hmdb-id>
  <chembl-id>CHEMBL1894365</chembl-id>
  <chemspider-id>7847</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>
