(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane (CED0094822)

Record Information
Version1.0
Creation Date2026-03-31 20:05:56 UTC
Update Date2026-08-18 21:14:17 UTC
SynCED IDCED0094822
Secondary Accession Numbers
  • CHEM057638
Identification
Common Name(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane
ClassSmall Molecule
Description
(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 526.14 g/mol, (2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane is a heavy molecule. This compound is characterized by the chemical formula C12H5F19O1. The substance is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, batteries, printed circuit boards, wires and cables, cell phones, and one additional source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging within the food, food processing and cookware sector. Additionally, the compound is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. In the energy, oil and gas sector as well as industrial manufacturing and chemical processing, it is utilized in lubricants. One other sector is also recorded as a source. Recorded exposure routes for this compound include touch, oral, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H5F19O1
Average Molecular Mass526.141 g/mol
Monoisotopic Mass526.004 g/mol
CAS Registry Number41925-33-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChI IdentifierInChI=1S/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2
InChI KeyZFJPGQQBBNLQOX-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
808.0 Log mg/kg [450:1400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLysophosphatidic acid receptor 3Q8K5E0Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.153 Low confidence
Statistical Significance
0.0087
Supporting Reference Compounds
4
E-value
67.9624
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.205 Low confidence
Statistical Significance
0.9947
Supporting Reference Compounds
373
E-value
7743.9
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.205 Low confidence
Statistical Significance
0.9924
Supporting Reference Compounds
297
E-value
7725.45
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.135
Applicability Domain
0.153 Low confidence
Statistical Significance
0.8073
Supporting Reference Compounds
30
E-value
6285.16
Click to view 3D structureSodium-dependent phosphate transport protein 2AQ06496Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.127 Low confidence
Statistical Significance
0.1824
Supporting Reference Compounds
1
E-value
1420.28
Click to view 3D structureSodium-dependent phosphate transport protein 2AQ60825Mus musculusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.127 Low confidence
Statistical Significance
0.1824
Supporting Reference Compounds
1
E-value
1420.28
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
1498
E-value
7779.01
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.122 Low confidence
Statistical Significance
0.0085
Supporting Reference Compounds
1
E-value
66.4054
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9845
Supporting Reference Compounds
102
E-value
7664.49
Envelope phospholipase OPG057 structureClick to view 3D structureEnvelope phospholipase OPG057P04021Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))Predicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.12 Low confidence
Statistical Significance
0.3278
Supporting Reference Compounds
1
E-value
2551.66
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.118
Applicability Domain
0.153 Low confidence
Statistical Significance
0.997
Supporting Reference Compounds
201
E-value
7761.88
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
1245
E-value
7780.87
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9132
Supporting Reference Compounds
55
E-value
7109.11
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.143 Low confidence
Statistical Significance
0.6721
Supporting Reference Compounds
20
E-value
5232.25
Prostacyclin synthase structureClick to view 3D structureProstacyclin synthaseQ16647HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.117 Low confidence
Statistical Significance
0.5098
Supporting Reference Compounds
1
E-value
3968.68
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.153 Low confidence
Statistical Significance
0.9976
Supporting Reference Compounds
174
E-value
7766.16
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
793
E-value
7779.94
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
1538
E-value
7782.59
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
861
E-value
7780.41
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9991
Supporting Reference Compounds
310
E-value
7778.23
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.186 Low confidence
Statistical Significance
0.9936
Supporting Reference Compounds
146
E-value
7735.18
Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 structureClick to view 3D structureNicotinamide/nicotinic acid mononucleotide adenylyltransferase 1Q9HAN9HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.115 Low confidence
Statistical Significance
0.5348
Supporting Reference Compounds
1
E-value
4163.53
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
1130
E-value
7781.89
Presenilin-2 structureClick to view 3D structurePresenilin-2P49810HumansPredicted (SEA)
Prediction Confidence Score
0.114
Applicability Domain
0.114 Low confidence
Statistical Significance
0.2443
Supporting Reference Compounds
1
E-value
1902.17
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.153 Low confidence
Statistical Significance
0.5758
Supporting Reference Compounds
40
E-value
4482.4
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available