122726 <common-name>Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate</common-name> <description>Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 610.24 g/mol, Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate is a heavy molecule. This compound is identified by the chemical formula C16H12F18O4. The substance is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. Its presence is also noted in food packaging within the food, food processing and cookware sector. Additionally, it is utilized in medical devices for healthcare, pharmaceuticals and veterinary products, and serves as a lubricant in both the energy, oil and gas sector as well as in industrial manufacturing and chemical processing. One further sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral ingestion, and touch.</description> <cas>508194-70-5</cas> <pubchem-id>58090242</pubchem-id> <chemical-formula>C16H12F18O4</chemical-formula> <weight>610.23</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">2026-04-06T06:02:37Z</created-at> <updated-at type="dateTime">2026-08-19T13:57:20Z</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>FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)CCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C16H12F18O4</moldb-formula> <moldb-inchi>InChI=1S/C16H12F18O4/c17-9(18,11(21,22)13(25,26)15(29,30)31)3-5-37-7(35)1-2-8(36)38-6-4-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-6H2</moldb-inchi> <moldb-inchikey>DVQHEDSMPBFNOO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">610.239</moldb-average-mass> <moldb-mono-mass type="decimal">610.0448168</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM118619</chemdb-id> <dsstox-id>DTXSID40728796</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00110236</susdat-id> <iupac>Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate</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">0</paper-count> <sync-id>CED0119910</sync-id> <structure-inchikey>DVQHEDSMPBFNOO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000100000800000002000000010002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000020000004000100000000000000000000000000010000000000000000000200000008000000000000000000000000000020000800000000000000000000000000000200000000000000000000010000000000080000000000000000002002000001000000040000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���%���€� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`������� ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ������ ���� � ���� � ���� � ������������������������������ �� � �� �� � ������� ��(������������(��� ���������������������������� ��!��"�"#�"$�"%�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:45:57Z</structure-indexed-at> </compound>