Record Information
Version1.0
Creation Date2026-03-31 19:53:46 UTC
Update Date2026-08-28 03:45:15 UTC
Accession NumberCHEM057478
Identification
Common Name3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate
ClassSmall Molecule
Description3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 674.14 g/mol, 3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate is a heavy molecule. Its chemical formula is C13H8F21O5P. This compound is associated with 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is also present in synthetic textiles and carpets and rugs within the textiles, leather and furnishings sector. In the food, food processing and cookware sector, it is found in food packaging. Other sources include medical devices from the healthcare, pharmaceuticals and veterinary products sector, as well as lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One further sector is also recorded. Exposure to 3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate can occur through oral, inhalation, and touch routes.
Contaminant SourcesNot Available
Contaminant Type
  • PFAS
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaC13H8F21O5P1
Average Molecular Mass674.142 g/mol
Monoisotopic Mass673.977 g/mol
CAS Registry Number94158-70-0
IUPAC Name(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl) dihydrogen phosphate
Traditional NameNot Available
SMILESOC(COP(O)(O)=O)CC(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
InChI IdentifierInChI=1S/C13H8F21O5P/c14-4(15,1-3(35)2-39-40(36,37)38)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3,35H,1-2H2,(H2,36,37,38)
InChI KeyNQLRFTJXTHUSEC-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