Ethyl 4,4,5,5,6,6,6-heptafluorohexanoate (CED0188534)

Record Information
Version1.0
Creation Date2026-04-06 05:22:44 UTC
Update Date2026-08-25 05:14:44 UTC
Accession NumberCHEM117996
Identification
Common NameEthyl 4,4,5,5,6,6,6-heptafluorohexanoate
ClassSmall Molecule
Description
Ethyl 4,4,5,5,6,6,6-heptafluorohexanoate is an organic compound with the chemical formula $\text{C}_8\text{H}_9\text{F}_7\text{O}_2$ and an average molecular weight of 270.15 g/mol. Ethyl 4,4,5,5,6,6,6-heptafluorohexanoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This substance is found in or released from 13 recorded sources across multiple sectors. Within 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. In the healthcare, pharmaceuticals and veterinary products sector, it is found in medical devices, while in food, food processing and cookware, it is linked to food packaging. Additionally, the compound is utilized as a lubricant within the energy, oil and gas sector as well as in industrial manufacturing and chemical processing. It is also associated with one additional sector. Recorded routes of human exposure include inhalation, oral ingestion, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H9F7O2
Average Molecular Mass270.147 g/mol
Monoisotopic Mass270.049 g/mol
CAS Registry Number424-66-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)CCC(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C8H9F7O2/c1-2-17-5(16)3-4-6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3
InChI KeyCZQIYZIRNWFMOA-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
807.0Log mg/kg[450:1400]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 structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)956.611
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)11.9888
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)8.48557
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)12.8451
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)1237.65
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)1190.16
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)129.463
Click to view 3D structureHistidine biosynthesis bifunctional protein HisBP06987Escherichia coli O26:H11 str. CFSAN001629Predicted (SEA)10.8989
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)248.339
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)263.831
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)1.63483
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)132.032
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)1413.27
Click to view 3D structureGeneral amino acid permease AGP1P25376Saccharomyces cerevisiae S288cPredicted (SEA)206.067
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)2126.37
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase NIMA-interacting 4Q9Y237HumansPredicted (SEA)4.67095
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)6.38364
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)16.9711
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)350.944
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)59.9439
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)1138.08
Pyruvate carboxylase structureClick to view 3D structurePyruvate carboxylaseA0A0H3JRU9Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)24.6782
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)10.821
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)1096.66
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)1098.22
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available