Ethyl heptafluorobutyrylacetate (CED0000540)

Record Information
Version1.0
Creation Date2026-04-06 06:54:39 UTC
Update Date2026-08-25 00:44:10 UTC
Accession NumberCHEM119489
Identification
Common NameEthyl heptafluorobutyrylacetate
ClassSmall Molecule
Description
Ethyl heptafluorobutyrylacetate is an organic compound with the formula C8H7F7O3 and an average molecular weight of 284.13 g/mol. Ethyl heptafluorobutyrylacetate belongs to the beta-keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, wires and cables, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Within the food, food processing and cookware sector, it is found in food packaging. Other recorded sources include medical devices in the healthcare, pharmaceuticals and veterinary products sector, and lubricants within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One additional sector is also recorded as a source. Recorded exposure routes for this substance include oral, touch, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H7F7O3
Average Molecular Mass284.130 g/mol
Monoisotopic Mass284.028 g/mol
CAS Registry Number336-62-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C8H7F7O3/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3
InChI KeyCMGCMFZWEPCGSQ-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
1158.0Log mg/kg[650:2100]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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase NIMA-interacting 4Q9Y237HumansPredicted (SEA)1.71268
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)13.5458
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)5.44945
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)48.033
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)4.51525
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)1138.08
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)6.85073
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)548.915
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)6.61718
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)948.437
Pyruvate carboxylase structureClick to view 3D structurePyruvate carboxylaseA0A0H3JRU9Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)24.6782
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)0.856341
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)8.48557
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)1527.79
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)1530.75
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)4.12601
Click to view 3D structureShort transient receptor potential channel 3Q9QZC1Mus musculusPredicted (SEA)59.8661
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)7.00643
Click to view 3D structureHistidine biosynthesis bifunctional protein HisBP06987Escherichia coli O26:H11 str. CFSAN001629Predicted (SEA)10.8989
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)318.481
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)283.994
Click to view 3D structurePepsin AP00791Sus scrofaPredicted (SEA)400.456
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)2482.38
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)2166.31
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)2108.55
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available