Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate (CED0186626)

Record Information
Version1.0
Creation Date2026-04-06 06:13:44 UTC
Update Date2026-08-28 22:08:23 UTC
Accession NumberCHEM118760
Identification
Common NameBenzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
ClassSmall Molecule
Description
Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 586.20 g/mol, Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate is a heavy molecule. Its chemical formula is C16H7F17O4. This compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, wires and cables, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within healthcare, pharmaceuticals and veterinary products. Additionally, it is used as a lubricant in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded routes of exposure for this compound include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC16H7F17O4
Average Molecular Mass586.201 g/mol
Monoisotopic Mass586.007 g/mol
CAS Registry Number140229-81-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OCC1=CC=CC=C1)C(F)(F)F
InChI IdentifierInChI=1/C16H7F17O4/c17-9(12(21,22)23,8(34)35-6-7-4-2-1-3-5-7)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h1-5H,6H2
InChI KeyDWLOORGSOPGRDQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1379.0Log mg/kg[780:2500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)13.3901
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)117.942
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)45.7753
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)169.711
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)77.3043
Kallikrein-8 structureClick to view 3D structureKallikrein-8O60259HumansPredicted (SEA)31.9182
Kallikrein-2 structureClick to view 3D structureKallikrein-2P20151HumansPredicted (SEA)64.9263
Click to view 3D structureSolute carrier family 12 member 5Q63633Rattus norvegicusPredicted (SEA)13.2344
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)295.905
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)364.412
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)107.665
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)364.257
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)545.412
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)174.616
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)327.278
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)188.162
Click to view 3D structureProlyl endopeptidaseP27028Elizabethkingia meningosepticaPredicted (SEA)39.9366
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)349.932
Click to view 3D structureCalpain-1 catalytic subunitP00789Gallus gallusPredicted (SEA)61.423
Calpain-2 catalytic subunit structureClick to view 3D structureCalpain-2 catalytic subunitP17655HumansPredicted (SEA)151.572
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)540.974
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)540.819
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)91.4728
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)859.922
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)52.3925
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available