(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol (CED0163090)

Record Information
Version1.0
Creation Date2026-04-06 06:42:34 UTC
Update Date2026-08-23 11:28:43 UTC
Accession NumberCHEM119222
Identification
Common Name(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
ClassSmall Molecule
Description
(2E)-4,4,5,5,6,6,6-Heptafluorohex-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 found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, batteries, wires and cables, and one additional source. Within the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One further sector is also recorded. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H5F7O
Average Molecular Mass226.094 g/mol
Monoisotopic Mass226.023 g/mol
CAS Registry Number37759-88-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCC=CC(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C6H5F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h1-2,14H,3H2/b2-1+
InChI KeyFJRYHIWIYHYOTE-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
1314.0Log 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)18.061
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)4896.09
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)96.3773
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7261.7
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7444.1
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)22.5763
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)3038.3
Interleukin-17F structureClick to view 3D structureInterleukin-17FQ96PD4HumansPredicted (SEA)1324.76
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)146.746
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)178.43
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)6961.67
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7707.31
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)6105.79
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)7471.5
Click to view 3D structureBeta-lactamase SHV-55Q4TVR4Klebsiella pneumoniaePredicted (SEA)333.973
Click to view 3D structureSerine/threonine-protein phosphatase 4 catalytic subunitP60510HumansPredicted (SEA)115.373
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)218.367
Click to view 3D structureNuclear receptor ROR-betaQ92753HumansPredicted (SEA)7103.82
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)258.537
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)7698.12
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7748.18
Malonyl-CoA decarboxylase, mitochondrial structureClick to view 3D structureMalonyl-CoA decarboxylase, mitochondrialO95822HumansPredicted (SEA)2336.02
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)295.671
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)7685.74
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7781.81
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available