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<compound>
  <id type="integer">121963</id>
  <title nil="true"/>
  <common-name>3-(Perfluoropropyl)-2-iodopropanol acetate</common-name>
  <description>3-(Perfluoropropyl)-2-iodopropanol acetate (C8H8F7IO2) is an organic compound with an average molecular weight of 396.04 g/mol. 3-(Perfluoropropyl)-2-iodopropanol acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. It is found in synthetic textiles, carpets and rugs within the textiles, leather and furnishings sector. 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 from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One additional sector is also recorded. Human exposure to the compound occurs through the recorded routes of inhalation, oral intake, and touch.</description>
  <cas>3108-05-2</cas>
  <pubchem-id>18366</pubchem-id>
  <chemical-formula>C8H8F7IO2</chemical-formula>
  <weight>396.04</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">2026-04-06T05:16:27Z</created-at>
  <updated-at type="dateTime">2026-09-01T13:57:47Z</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>CC(=O)OCC(I)CC(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C8H8F7IO2</moldb-formula>
  <moldb-inchi>InChI=1/C8H8F7IO2/c1-4(17)18-3-5(16)2-6(9,10)7(11,12)8(13,14)15/h5H,2-3H2,1H3</moldb-inchi>
  <moldb-inchikey>TYWLMXXVTNXETF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">396.043</moldb-average-mass>
  <moldb-mono-mass type="decimal">395.945725</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM117856</chemdb-id>
  <dsstox-id>DTXSID00896985</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00109090</susdat-id>
  <iupac>4,4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate</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>Carboxylic acids and derivatives</klass>
  <subklass>Carboxylic acid derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0122250</sync-id>
  <structure-inchikey>TYWLMXXVTNXETF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:45:15Z</structure-indexed-at>
</compound>
