(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene (CED0124114)

Record Information
Version1.0
Creation Date2026-04-06 07:07:24 UTC
Update Date2026-05-21 07:25:58 UTC
Accession NumberCHEM119652
Identification
Common Name(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
ClassSmall Molecule
Description
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene belongs to the vinyl fluorides, a subclass of vinyl halides within the organic compounds. This organohalogen compound has the chemical formula C8F16 and an average molecular weight of 400.06 g/mol. The 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, printed circuit boards, wires and cables, batteries, and one additional source. Within the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found 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 used as lubricants in the energy, oil and gas sector, as well as in industrial manufacturing and chemical processing, along with one more sector. Recorded exposure routes for this substance include touch, oral, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8F16
Average Molecular Mass400.062 g/mol
Monoisotopic Mass399.974 g/mol
CAS Registry Number58621-72-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C8F16/c9-2(5(13,14)15)1(4(11,12)8(22,23)24)3(10,6(16,17)18)7(19,20)21/b2-1+
InChI KeyWUOLIJJSAIZFOF-OWOJBTEDSA-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
501.0Log mg/kg[280:890]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 structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)20.0072
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)157.1
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)5543.1
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)5741.61
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7555.97
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)3483.91
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)192.599
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)222.571
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)256.902
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)178.82
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)254.878
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)4497.04
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)5537.88
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7747.71
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)7761.65
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7781.89
Click to view 3D structureMalonyl-CoA decarboxylase, mitochondrialQ99J39Mus musculusPredicted (SEA)5809.42
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7781.96
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)7710.34
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)7781.96
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)2790.74
Click to view 3D structureLeucine--tRNA ligase, cytoplasmicP26637Saccharomyces cerevisiae S288cPredicted (SEA)1582.99
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)7771.38
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)7767.33
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7781.81
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available