95015 <common-name>Sodium 2-ethylhexanesulphonate</common-name> <description>Sodium 2-ethylhexanesulphonate belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. It has the formula C8H18O3S and an average molecular weight of 216.27 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>56008-29-8</cas> <pubchem-id>91977</pubchem-id> <chemical-formula>C8H18O3S</chemical-formula> <weight>194.29</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">2026-04-05T03:07:50Z</created-at> <updated-at type="dateTime">2026-08-24T18:06:46Z</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>[Na+].CCCCC(CC)CS([O-])(=O)=O</moldb-smiles> <moldb-formula>C8H18O3S</moldb-formula> <moldb-inchi>InChI=1/C8H18O3S.Na/c1-3-5-6-8(4-2)7-12(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1</moldb-inchi> <moldb-inchikey>KNOGXLBAOQDKTG-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">216.27</moldb-average-mass> <moldb-mono-mass type="decimal">194.0976654</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM090908</chemdb-id> <dsstox-id>DTXSID80961185</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056911</susdat-id> <iupac>2-ethylhexane-1-sulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic sulfonic acids and derivatives</klass> <subklass>Organosulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089863</sync-id> <structure-inchikey>KNOGXLBAOQDKTG-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000040000000000000000000002000000000000020000000000000000080000000000000000000000000000000000000000010000000000000020000000000000001000001000000000000020000000000000000000000000000000000000000000000010000000000000000040000000000000000000000000000000000000042000000000000000000000040000800000000000000000000008000000000000080000000080000000800000000000000000000000000000000000000000008000000000000000000000000000000000000000000000010000000000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€�� �������`�������`�������`�������`�������`�������`�������`�������`������� ����� "���ÿ���(�������(���������������������������� � � ��� ���B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:10Z</structure-indexed-at> </compound>