<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4652</id>
  <title>T3D4598</title>
  <common-name>Nonadecanoic acid</common-name>
  <description>Nonadecanoic acid is an endogenous organic compound with the formula C19H38O2 and an average molecular weight of 298.50 g/mol. It exists as a solid at room temperature. Nonadecanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds.

This compound has been identified in or released from 22 recorded sources. These include household cleaning and consumer products such as bleaching agents, cigar cigarettes, perfumes within detergents and soaps, non electric simulated smoking devices, and other smoking requisites. It is also found in food contact materials and the preparation of malt, as well as in indoor air. Additionally, it is associated with electrical and electronic equipment, including antennas, electric switches, cores yokes or armatures, emergency protective devices, and electrically stimulated smoking devices. Recorded exposure routes for the compound include touch, oral, and inhalation. Regarding its presence in plastics, results are inconclusive for polypropylene.</description>
  <cas>646-30-0</cas>
  <pubchem-id>12591</pubchem-id>
  <chemical-formula>C19H38O2</chemical-formula>
  <weight>298.5</weight>
  <appearance>White powder.</appearance>
  <melting-point>69.4 °C</melting-point>
  <boiling-point>236°C</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <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">2014-09-05T17:12:18Z</created-at>
  <updated-at type="dateTime">2026-04-17T18:10:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C16535</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>39246</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C19H38O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)</moldb-inchi>
  <moldb-inchikey>ISYWECDDZWTKFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">298.5038</moldb-average-mass>
  <moldb-mono-mass type="decimal">298.28718046</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB00772</hmdb-id>
  <chembl-id>CHEMBL1169674</chembl-id>
  <chemspider-id>12071</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>Lee, Donald G.; Lamb, Shannon E.; Chang, Victor S. Carboxylic acids from the oxidation of terminal alkenes by permanganate: nonadecanoic acid. Organic Syntheses (1981), 60 11-14.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003558</chemdb-id>
  <dsstox-id>DTXSID3060954</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010592</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>37.3</moldb-polar-surface-area>
  <moldb-refractivity>90.88659999999999</moldb-refractivity>
  <moldb-polarizability>40.778317657146275</moldb-polarizability>
  <moldb-rotatable-bond-count>17</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>8.42</moldb-alogps-logp>
  <moldb-alogps-logs>-6.64</moldb-alogps-logs>
  <moldb-alogps-solubility>6.79e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acids and conjugates</subklass>
  <paper-count type="integer">1384</paper-count>
  <sync-id>CED0007582</sync-id>
  <structure-inchikey>ISYWECDDZWTKFF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000002000000000000000000000004000000000000000000000000000000000000000000000000010000000000000020000000000000000000000000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000002000000010000000000000000000000000000001000010000000000000000000000000000000000000008000000000000000000000000000008000000000000000000000000000000000000000000400000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>20000206000800010001002000000000000005200000000040020000044002000000800000000001000000000004200084000410000000643000200000c41100000000000000801020004201000000000000000012400004200000090008200000000002000000000044200000200000500004600011080000021000020044000004608008080200008808000811140002444004020004080000000000004100000010800000000840014425000ac0000008010000000000000040020000000004040000000080000000000200000000000200400009000000080000000000080000000000000000000000200000100010804000000000000050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������h��������(�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:23Z</structure-indexed-at>
</compound>
