85943 <common-name>Sorbitan, di-(9Z)-9-octadecenoate</common-name> <description>Sorbitan, di-(9Z)-9-octadecenoate is an organic compound with the chemical formula C42H76O7. Sorbitan, di-(9Z)-9-octadecenoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 693.06 g/mol, Sorbitan, di-(9Z)-9-octadecenoate is a heavy molecule. In industrial applications, this substance is utilized as an emulsifier. It has been recorded in two sources: drinking water and water supply, as well as antennas within electrical and electronic equipment. The recorded exposure route for this compound is oral.</description> <cas>29116-98-1</cas> <pubchem-id>22833309</pubchem-id> <chemical-formula>C42H76O7</chemical-formula> <weight>693.0</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">2026-04-04T21:04:08Z</created-at> <updated-at type="dateTime">2026-04-17T16:36:48Z</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@@]1(OC[C@H](O)[C@H]1O)[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</moldb-smiles> <moldb-formula>C42H76O7</moldb-formula> <moldb-inchi>InChI=1/C42H76O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)47-36-38(42-41(46)37(43)35-48-42)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-43,46H,3-16,21-36H2,1-2H3</moldb-inchi> <moldb-inchikey>TTZKGYULRVDFJJ-GIVMLJSASA-N</moldb-inchikey> <moldb-average-mass type="decimal">693.063</moldb-average-mass> <moldb-mono-mass type="decimal">692.5591048</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17215398</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>CHEM081836</chemdb-id> <dsstox-id>DTXSID701021884</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046162</susdat-id> <iupac>[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-[(Z)-octadec-9-enoyl]oxyethyl] (Z)-octadec-9-enoate</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054572</sync-id> <structure-inchikey>TTZKGYULRVDFJJ-GIVMLJSASA-N</structure-inchikey> <structure-fingerprint>400000000000000004008000000002000000100000000000000000000000000020000000020000000000000000000000000040000000000000000000000000000000000000000000000100000000000000208000040003020000004000000000010000202100000040804000000000000000000200000000000000000000001000000000400000000000000000000100000000000000000000000000004010000000000000000000200800000020010000200000c8000000000100000000000000000008000000000000000000000000000000000000000000000010000010000000000000000000000000000000090410000000000000000000000010000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������1���1���€�� 4�������� ������`������ 4��������`������ 4��������`������ 4��������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`������������������������������� � �(� ��� � �������������������� ����������������������������������� ��(�� � !�!"�"#�#$�$%�%&�&'��'( ���&)()��)*�*+�+,�,-�-.�./�/0����B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:33Z</structure-indexed-at> </compound>