(2R)-2-(Acetyloxy)-3-(hexadecyloxy)propyl heptafluorobutanoate (CED0177204)

Record Information
Version1.0
Creation Date2026-04-06 06:28:25 UTC
Update Date2026-08-31 04:39:20 UTC
Accession NumberCHEM118996
Identification
Common Name(2R)-2-(Acetyloxy)-3-(hexadecyloxy)propyl heptafluorobutanoate
ClassSmall Molecule
Description
(2R)-2-(Acetyloxy)-3-(hexadecyloxy)propyl heptafluorobutanoate belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 554.59 g/mol, (2R)-2-(Acetyloxy)-3-(hexadecyloxy)propyl heptafluorobutanoate is a heavy molecule. It is characterized by the chemical formula C25H41F7O5. 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, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. Within the food, food processing and cookware sector, it is found in food packaging. Additionally, it is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is utilized in lubricants. One additional sector is also recorded. Exposure to this substance may occur through inhalation, oral ingestion, or touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC25H41F7O5
Average Molecular Mass554.587 g/mol
Monoisotopic Mass554.284 g/mol
CAS Registry Number119206-62-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCCOC[C@H](COC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(C)=O
InChI IdentifierInChI=1S/C25H41F7O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35-18-21(37-20(2)33)19-36-22(34)23(26,27)24(28,29)25(30,31)32/h21H,3-19H2,1-2H3/t21-/m1/s1
InChI KeyJFMAWTVFERLZEZ-OAQYLSRUSA-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
6858.0Log mg/kg[3900:12000]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 structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)0.700643
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)0.389246
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)3.58106
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)6.15009
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)1.16774
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)1.47914
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)6.85073
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)2.17978
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)8.95266
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)97.8565
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)18.5281
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)11.9109
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)3.11397
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)1.24559
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)6.77288
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)87.5804
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)289.521
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)6.07224
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)5.83869
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)16.5819
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)3377.02
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)42.8171
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)18.1389
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)3122.77
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)15.1806
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available