12085 <common-name>Octadecanoic acid, 2-ethylhexyl ester</common-name> <description>Octadecanoic acid, 2-ethylhexyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C26H52O2 and an average molecular weight of 396.70 g/mol. In industrial applications, the compound serves several roles, acting as a surfactant (surface active agent), plasticizer, and lubricating agent. It is additionally utilized as a softener and conditioner. Octadecanoic acid, 2-ethylhexyl ester has been identified in four recorded sources: drinking water, food contact materials used in food processing and cookware, thin magnetic films found in electrical and electronic equipment, and soap dispensers used in household cleaning and consumer products. Human exposure to this substance may occur through inhalation, oral ingestion, or touch.</description> <cas>22047-49-0</cas> <pubchem-id>13132266</pubchem-id> <chemical-formula>C26H52O2</chemical-formula> <weight>396.7</weight> <appearance nil="true"/> <melting-point nil="true"/> <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 nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T03:31:00Z</created-at> <updated-at type="dateTime">2026-08-22T07:06:46Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <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>CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC</moldb-smiles> <moldb-formula>C26H52O2</moldb-formula> <moldb-inchi>InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3</moldb-inchi> <moldb-inchikey>OPJWPPVYCOPDCM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">396.7</moldb-average-mass> <moldb-mono-mass type="decimal">396.396730914</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>11.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>11445316</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"/> <chemdb-id>CHEM010980</chemdb-id> <dsstox-id>DTXSID9047178</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049187</susdat-id> <iupac>2-ethylhexyl octadecanoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>123.20289999999999</moldb-refractivity> <moldb-polarizability>54.74634877552351</moldb-polarizability> <moldb-rotatable-bond-count>23</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.033335245643629</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>9.92</moldb-alogps-logp> <moldb-alogps-logs>-7.52</moldb-alogps-logs> <moldb-alogps-solubility>1.18e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0096384</sync-id> <structure-inchikey>OPJWPPVYCOPDCM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200000010000000000200040000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000004000100000000401020000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000002000000000001000000000000000800000000000002001000008000008000000000000000000000000800008000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`������������������������������� � � ������ � �������������(��� ������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:42Z</structure-indexed-at> </compound>