1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid (CED0191865)

Record Information
Version1.0
Creation Date2026-03-31 20:01:39 UTC
Update Date2026-08-22 16:04:14 UTC
Accession NumberCHEM057587
Identification
Common Name1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
ClassSmall Molecule
Description
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C4H2F8O3S1 and an average molecular weight of 282.10 g/mol. The compound is associated with 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. In the food, food processing and cookware sector, it is found in food packaging, while medical devices account for its presence in healthcare, pharmaceuticals and veterinary products. Additionally, the compound is used as a lubricant in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sectors. One other sector is also recorded as a source. Recorded routes of exposure for this compound include oral, touch, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC4H2F8O3S1
Average Molecular Mass282.100 g/mol
Monoisotopic Mass281.960 g/mol
CAS Registry Number70259-86-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI IdentifierInChI=1S/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15)
InChI KeyUTWCWKUZICRKOA-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
700.0Log mg/kg[390:1200]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
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)4727.0
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)4452.9
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)4925.21
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)6674.71
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)20.1629
Click to view 3D structure7-dehydrocholesterol reductaseQ9Z2Z8Rattus norvegicusPredicted (SEA)31.3732
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)6164.96
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)6604.81
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)6470.98
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)86.8797
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)4079.61
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)7433.74
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)3863.81
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)1601.12
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)2326.13
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)2257.47
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)2256.69
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7553.32
Click to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)902.817
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)92.3292
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)7690.18
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)7146.64
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7291.83
Click to view 3D structure4-hydroxyphenylpyruvate dioxygenaseO23920Daucus carotaPredicted (SEA)1456.79
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)7449.0
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available