<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4649</id>
  <title>T3D4595</title>
  <common-name>Caproic acid</common-name>
  <description>It is a colorless oily liquid smelling of cheese. It is a fatty acid found naturally in various animal fats and oils. Caproic acid is a medium chain triglycerides (MCT). MCTs are widely used for parenteral nutrition in individuals requiring supplemental nutrition and are being more widely used in foods, drugs and cosmetics; they are essentially non-toxic. It is safe for human dietary consumption up to levels of 1g/kg. (A3658).</description>
  <cas>142-62-1</cas>
  <pubchem-id>8892</pubchem-id>
  <chemical-formula>C6H12O2</chemical-formula>
  <weight>116.16</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>10.3 mg/mL</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>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-05T17:12:02Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:53:48Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Caproic acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C01585</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>30776</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id>6NA</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C6H12O2</moldb-formula>
  <moldb-inchi>InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)</moldb-inchi>
  <moldb-inchikey>FUZZWVXGSFPDMH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">116.1583</moldb-average-mass>
  <moldb-mono-mass type="decimal">116.083729628</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>1.92</logp>
  <hmdb-id>HMDB00535</hmdb-id>
  <chembl-id>CHEMBL14184</chembl-id>
  <chemspider-id>8552</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>Gao, Fei; Wu, Zongwei.  Process for preparation of hexanoic acid by oxidation of 2-octanol with nitric acid.    Faming Zhuanli Shenqing Gongkai Shuomingshu  (2005), 7pp.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003555</chemdb-id>
  <dsstox-id>DTXSID7021607</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>hexanoic acid</iupac>
</compound>
