Tert-Butyl heptafluorobutaneperoxoate (CED0001268)

Record Information
Version1.0
Creation Date2026-04-06 05:19:26 UTC
Update Date2026-09-01 14:12:28 UTC
Accession NumberCHEM117935
Identification
Common NameTert-Butyl heptafluorobutaneperoxoate
ClassSmall Molecule
Description
Tert-Butyl heptafluorobutaneperoxoate is an organic compound with the formula C8H9F7O3 and an average molecular weight of 286.15 g/mol. Tert-Butyl heptafluorobutaneperoxoate belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This substance has been identified in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is associated with 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 the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one other sector. Recorded routes of human exposure to the compound include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H9F7O3
Average Molecular Mass286.146 g/mol
Monoisotopic Mass286.044 g/mol
CAS Registry Number91481-65-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(C)OOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C8H9F7O3/c1-5(2,3)18-17-4(16)6(9,10)7(11,12)8(13,14)15/h1-3H3
InChI KeyIEIUNVABWRASPD-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
1401.0Log mg/kg[790:2500]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
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)2.80257
Click to view 3D structureGlyceraldehyde-3-phosphate dehydrogenaseP46406Oryctolagus cuniculusPredicted (SEA)1.63483
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)47.0209
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1100.48
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)50.2127
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)478.617
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)52.0811
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)985.104
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)1783.91
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)5572.37
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)743.071
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)53.6381
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)30.984
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)6439.69
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7636.77
Click to view 3D structureFatty acid-binding protein, liverP02692Rattus norvegicusPredicted (SEA)1760.56
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7567.1
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)7615.44
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)5854.88
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)7263.25
Click to view 3D structureMuscarinic acetylcholine receptor M1Q8WMX0Bos taurusPredicted (SEA)2890.54
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)11.9109
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)7186.81
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)7041.85
Click to view 3D structurePeroxisome proliferator-activated receptor alphaP23204Mus musculusPredicted (SEA)5705.18
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available