Perfluorodecanesulfonate (CED0017386)

Record Information

Version

1.0

Creation Date

2026-04-06 04:39:50 UTC

Update Date

2026-04-06 04:39:50 UTC

SynCED ID

CED0017386

Secondary Accession Numbers

CHEM117592

Identification

Common Name

Perfluorodecanesulfonate

Class

Small Molecule

Description

Perfluorodecanesulfonate belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. It has the chemical formula C10F21O3S. With an average molecular weight of 599.13 g/mol, Perfluorodecanesulfonate is a heavy molecule. This compound is further classified under the superclass of organohalogen compounds.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀F₂₁O₃S

Average Molecular Mass

599.130 g/mol

Monoisotopic Mass

598.923 g/mol

CAS Registry Number

126105-34-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)/p-1

InChI Key

HYWZIAVPBSTISZ-UHFFFAOYSA-M

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
215.0 Log mg/kg [120:380]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
childhood acute lymphoblastic leukemia	Associated With?	positive	Not Available	PMC12062923

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC11231300 , PMC12017740
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	PMC12065928
CEDs000116	Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.	Drinking water & water supply	PMC12194177
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs00763	Fish Feed	Agriculture & land management	PMC10116195
CEDs01170	Eggs	Food, food processing & cookware	PMC7984356 , PMC7984356
CEDs02110	Electronic Waste	Waste management, landfill & incineration	PMC7585738
CEDs02255	Water	Aquatic systems & sediments	PMC1831521 , PMC9670858
CEDs02265	River Water	Aquatic systems & sediments	PMC10130131
CEDs02286	Lake	Aquatic systems & sediments	PMC12629422
CEDs02290	Freshwater Sediments	Aquatic systems & sediments	PMC13335835 , PMC13335835
CEDs02590	Dust	Air, dust & atmospheric transport	PMC13472078 , PMC12062923
CEDs02593	House Dust	Air, dust & atmospheric transport	PMC8963212
CEDs02619	Settled Dust	Air, dust & atmospheric transport	PMC12062923
CEDs02625	Dust Samples	Air, dust & atmospheric transport	PMC9730836
CEDs03009	Waste Water	Wastewater, sanitation & biosolids	PMC12183543

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.261 Low confidence Statistical Significance 0.5328 Supporting Reference Compounds 472 E-value 4147.81
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.261 Low confidence Statistical Significance 0.4791 Supporting Reference Compounds 407 E-value 3729.68
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.261 Low confidence Statistical Significance 0.779 Supporting Reference Compounds 242 E-value 6064.14
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.245 Low confidence Statistical Significance 0.3099 Supporting Reference Compounds 64 E-value 2412.63
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.261 Low confidence Statistical Significance 0.1151 Supporting Reference Compounds 22 E-value 895.889
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.182 Low confidence Statistical Significance 0.9103 Supporting Reference Compounds 372 E-value 7086.54
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.182 Low confidence Statistical Significance 0.7976 Supporting Reference Compounds 165 E-value 6209.18
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.261 Low confidence Statistical Significance 0.7352 Supporting Reference Compounds 92 E-value 5723.79
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.184 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 6 E-value 97.5451
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.245 Low confidence Statistical Significance 0.978 Supporting Reference Compounds 400 E-value 7613.81
Click to view 3D structure	Oxysterols receptor LXR-beta	P55055	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.152 Low confidence Statistical Significance 0.8921 Supporting Reference Compounds 65 E-value 6945.01
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.245 Low confidence Statistical Significance 0.9731 Supporting Reference Compounds 292 E-value 7575.43
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.245 Low confidence Statistical Significance 0.9713 Supporting Reference Compounds 258 E-value 7561.88
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.148 Low confidence Statistical Significance 0.9211 Supporting Reference Compounds 102 E-value 7170.93
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.184 Low confidence Statistical Significance 0.6244 Supporting Reference Compounds 55 E-value 4860.75
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.152 Low confidence Statistical Significance 0.9197 Supporting Reference Compounds 76 E-value 7159.72
Click to view 3D structure	Nuclear receptor ROR-alpha	P35398	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.148 Low confidence Statistical Significance 0.8247 Supporting Reference Compounds 41 E-value 6419.91
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.3242 Supporting Reference Compounds 43 E-value 2523.87
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.9206 Supporting Reference Compounds 151 E-value 7167.11
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.3241 Supporting Reference Compounds 41 E-value 2522.86
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.9463 Supporting Reference Compounds 193 E-value 7366.87
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.1197 Supporting Reference Compounds 22 E-value 931.699
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.3544 Supporting Reference Compounds 44 E-value 2759.21
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.162 Low confidence Statistical Significance 0.9762 Supporting Reference Compounds 332 E-value 7599.56
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.162 Low confidence Statistical Significance 0.3271 Supporting Reference Compounds 34 E-value 2546.84