<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">61589</id>
  <title nil="true"/>
  <common-name>3,3,4,4,5,5,6,6,6-Nonafluorohexyl (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate</common-name>
  <description>3,3,4,4,5,5,6,6,6-Nonafluorohexyl (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 690.16 g/mol, 3,3,4,4,5,5,6,6,6-Nonafluorohexyl (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate is a heavy molecule. Its chemical formula is C14H9F22O4P1.

This compound is found in or released from 13 recorded sources across several sectors. In electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables. Within the textiles, leather, and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing, and cookware sector, medical devices from the healthcare, pharmaceuticals, and veterinary products sector, and lubricants used in both industrial manufacturing and chemical processing as well as the energy, oil, and gas sectors. Recorded exposure routes for this substance include oral, inhalation, and touch.</description>
  <cas>1158182-59-2</cas>
  <pubchem-id>138394218</pubchem-id>
  <chemical-formula>C14H9F22O4P1</chemical-formula>
  <weight>690.16</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">2026-03-31T19:53:56Z</created-at>
  <updated-at type="dateTime">2026-08-19T08:32:44Z</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 nil="true"/>
  <moldb-formula>C14H9F22O4P1</moldb-formula>
  <moldb-inchi>InChI=1S/C14H9F22O4P/c15-5(16,7(19,20)9(23,24)10(25,26)12(29,30)14(34,35)36)1-3-39-41(37,38)40-4-2-6(17,18)8(21,22)11(27,28)13(31,32)33/h1-4H2,(H,37,38)</moldb-inchi>
  <moldb-inchikey>RTWBXVKDNXSYBW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">690.16</moldb-average-mass>
  <moldb-mono-mass type="decimal">689.988716</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.3</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>CHEM057482</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010955</susdat-id>
  <iupac>3,3,4,4,5,5,6,6,6-nonafluorohexyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate</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 phosphoric acids and derivatives</klass>
  <subklass>Phosphate esters</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0053729</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle nil="true"/>
  <structure-indexed-at nil="true"/>
</compound>
