46622 <common-name>diisodecyl maleate</common-name> <description>diisodecyl maleate (C24H44O4) is an organic compound with an average molecular weight of 396.61 g/mol. diisodecyl maleate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This substance is classified within the superclass of lipids and lipid-like molecules. It has been identified in one recorded source, specifically drinking water and water supply. The recorded exposure route for this compound is oral.</description> <cas>53817-61-1</cas> <pubchem-id>22186491</pubchem-id> <chemical-formula>C24H44O4</chemical-formula> <weight nil="true"/> <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">2016-06-03T13:23:09Z</created-at> <updated-at type="dateTime">2026-03-31T16:57:40Z</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>[H]\C(=C(\[H])C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C</moldb-smiles> <moldb-formula>C24H44O4</moldb-formula> <moldb-inchi>InChI=1S/C24H44O4/c1-21(2)15-11-7-5-9-13-19-27-23(25)17-18-24(26)28-20-14-10-6-8-12-16-22(3)4/h17-18,21-22H,5-16,19-20H2,1-4H3/b18-17+</moldb-inchi> <moldb-inchikey>WVUCNLQROBXNOX-ISLYRVAYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">396.612</moldb-average-mass> <moldb-mono-mass type="decimal">396.323959897</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>93757</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>CHEM045517</chemdb-id> <dsstox-id>DTXSID90968605</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008383</stoff-ident-id> <susdat-id>NS00008555</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>116.99959999999994</moldb-refractivity> <moldb-polarizability>50.74311080253217</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.534332419068102</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>7.69</moldb-alogps-logp> <moldb-alogps-logs>-7.09</moldb-alogps-logs> <moldb-alogps-solubility>3.20e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty alcohol esters</subklass> <paper-count type="integer">11</paper-count> <sync-id>CED0034366</sync-id> <structure-inchikey>WVUCNLQROBXNOX-ISLYRVAYSA-N</structure-inchikey> 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