Record Information
Version1.0
Creation Date2026-04-06 05:15:59 UTC
Update Date2026-08-28 17:26:03 UTC
Accession NumberCHEM117849
Identification
Common NameDiethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
ClassSmall Molecule
DescriptionDiethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate belongs to the phosphonic acid diesters, a subclass of organic phosphonic acids and derivatives within the organic compounds. With an average molecular weight of 684.23 g/mol, Diethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate is a heavy molecule. Its chemical formula is C16H14F21O3P. The compound 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. It is also found in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging within the food, food processing and cookware sector, and medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, with one further sector recorded. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant SourcesNot Available
Contaminant Type
  • PFAS
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaC16H14F21O3P
Average Molecular Mass684.225 g/mol
Monoisotopic Mass684.035 g/mol
CAS Registry NumberNot Available
IUPAC NameDiethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
Traditional NameNot Available
SMILESCCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChI IdentifierInChI=1S/C16H14F21O3P/c1-3-39-41(38,40-4-2)6-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-6H2,1-2H3
InChI KeyIUUVQAYNLGBYHS-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available