(2E)-4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol (CED0178169)

Record Information
Version1.0
Creation Date2026-04-06 06:12:22 UTC
Update Date2026-08-23 11:28:34 UTC
Accession NumberCHEM118742
Identification
Common Name(2E)-4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
ClassSmall Molecule
Description
(2E)-4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C6H5F7O and an average molecular weight of 226.09 g/mol. The compound is associated with 13 recorded sources across several sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging within the food, food processing and cookware sector, and medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in energy, oil and gas, as well as in industrial manufacturing and chemical processing. One further sector is also recorded as a source. Exposure to this compound may occur through oral, inhalation, and touch routes.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H5F7O
Average Molecular Mass226.094 g/mol
Monoisotopic Mass226.023 g/mol
CAS Registry Number83706-95-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCC=CC(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C6H5F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h1-2,14H,3H2/b2-1+
InChI KeyLJGTZTYTTFGFAE-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
1319.0Log mg/kg[740:2300]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 structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)14.8692
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)4042.87
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7174.97
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)15.4141
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)2328.31
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)107.743
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)138.494
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)7211.33
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)5326.52
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)168.699
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7415.45
Click to view 3D structureSerine/threonine-protein phosphatase 4 catalytic subunitP60510HumansPredicted (SEA)84.5443
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)193.922
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)7566.56
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)226.152
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7745.53
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)7583.68
Interleukin-17F structureClick to view 3D structureInterleukin-17FQ96PD4HumansPredicted (SEA)2473.74
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)7469.01
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)7646.43
Click to view 3D structureNuclear receptor ROR-betaQ92753HumansPredicted (SEA)7403.77
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)4253.6
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)7769.66
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)7763.75
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)7762.42
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available