4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane (CED0188538)

Record Information
Version1.0
Creation Date2026-04-06 05:57:43 UTC
Update Date2026-08-19 14:32:57 UTC
Accession NumberCHEM118508
Identification
Common Name4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane
ClassSmall Molecule
Description
4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane belongs to the 2,5-disubstituted thiophenes, a subclass of thiophenes within the organic compounds. With an average molecular weight of 528.14 g/mol, 4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane is a heavy molecule. It is characterized by the chemical formula C16H14BF13O2S. This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, cell phones, 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. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within healthcare, pharmaceuticals and veterinary products. Furthermore, it is used as lubricants in both the energy, oil and gas sector and industrial manufacturing and chemical processing, alongside one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC16H14BF13O2S
Average Molecular Mass528.140 g/mol
Monoisotopic Mass528.060 g/mol
CAS Registry Number1338083-27-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1(C)OB(OC1(C)C)C1=CC=C(S1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C16H14BF13O2S/c1-9(2)10(3,4)32-17(31-9)8-6-5-7(33-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h5-6H,1-4H3
InChI KeySCCANFFIZWAW-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
2464.0Log mg/kg[1400:4400]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 structureMalonyl-CoA decarboxylase, mitochondrialQ99J39Mus musculusPredicted (SEA)2240.89
Click to view 3D structureCalcium release-activated calcium channel protein 1Q5M848Rattus norvegicusPredicted (SEA)2051.95
Click to view 3D structureAnoctamin-2Q9NQ90HumansPredicted (SEA)1574.34
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)7205.33
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)7244.73
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)7424.71
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7754.33
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)7564.84
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7770.75
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7759.78
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7775.27
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)7275.48
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7771.61
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7761.33
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)7231.49
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7010.71
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7339.08
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)7098.53
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7437.87
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)1772.7
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)7697.58
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7524.05
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)7009.31
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7481.93
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7549.19
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available