<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4650</id>
  <title>T3D4596</title>
  <common-name>Dodecanoic acid</common-name>
  <description>Lauric acid, or dodecanoic acid is the main fatty acid in coconut oil and in palm kernel oil, and is believed to have antimicrobial properties. It is a white, powdery solid with a faint odor of bay oil. Lauric acid, although slightly irritating to mucous membranes, has a very low toxicity and so is used in many soaps and shampoos.</description>
  <cas>143-07-7</cas>
  <pubchem-id>3893</pubchem-id>
  <chemical-formula>C12H24O2</chemical-formula>
  <weight>200.32</weight>
  <appearance>White powder.</appearance>
  <melting-point>44 - 46°C</melting-point>
  <boiling-point>298.9°C</boiling-point>
  <density nil="true"/>
  <solubility>4.81 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>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">2014-09-05T17:12:07Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:47:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Dodecanoic acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C02679</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>30805</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB03017</drugbank-id>
  <pdb-id>DAO</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C12H24O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)</moldb-inchi>
  <moldb-inchikey>POULHZVOKOAJMA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">200.3178</moldb-average-mass>
  <moldb-mono-mass type="decimal">200.177630012</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>4.6</logp>
  <hmdb-id>HMDB00638</hmdb-id>
  <chembl-id>CHEMBL108766</chembl-id>
  <chemspider-id>3756</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003556</chemdb-id>
  <dsstox-id>DTXSID5021590</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008441</susdat-id>
  <iupac>dodecanoic acid</iupac>
  <moldb-polar-surface-area>37.3</moldb-polar-surface-area>
  <moldb-refractivity>58.67959999999999</moldb-refractivity>
  <moldb-polarizability>25.846297240499034</moldb-polarizability>
  <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.952019655228562</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>5.13</moldb-alogps-logp>
  <moldb-alogps-logs>-4.30</moldb-alogps-logs>
  <moldb-alogps-solubility>9.97e-03 g/l</moldb-alogps-solubility>
</compound>
