Perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS) (CED0145528)

Record Information

Version

1.0

Creation Date

2026-04-06 07:28:41 UTC

Update Date

2026-08-25 06:32:30 UTC

SynCED ID

CED0145528

Secondary Accession Numbers

CHEM119953

Identification

Common Name

Perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS)

Class

Small Molecule

Description

Perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS) belongs to the cyclohexyl halides, a subclass of alkyl halides within the organic compounds. This compound has the chemical formula C8HF15O3S and an average molecular weight of 462.13 g/mol. PFECHS is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also linked to food packaging in the food, food processing and cookware sector, and medical devices in the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, with one more sector also recorded. Recorded exposure routes for this compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈HF₁₅O₃S

Average Molecular Mass

462.130 g/mol

Monoisotopic Mass

461.941 g/mol

CAS Registry Number

646-83-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OS(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F

InChI Identifier

InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)

InChI Key

ICKAEAFPESRWOT-UHFFFAOYSA-N

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
213.0 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

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000050	Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.	Aquatic systems & sediments	PMC12393212
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	PMC13162327
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed 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 Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?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 Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets 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 & furnishings	Not Available
CEDs000454	Synthetic 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 & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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
CEDs02255	Water	Aquatic systems & sediments	PMC11552075

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 0.175 Applicability Domain 0.214 Low confidence Statistical Significance 0.8412 Supporting Reference Compounds 472 E-value 6548.44
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.214 Low confidence Statistical Significance 0.8285 Supporting Reference Compounds 407 E-value 6449.5
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.214 Low confidence Statistical Significance 0.7896 Supporting Reference Compounds 242 E-value 6147.21
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.19 Low confidence Statistical Significance 0.0089 Supporting Reference Compounds 6 E-value 69.6751
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.184 Low confidence Statistical Significance 0.8187 Supporting Reference Compounds 76 E-value 6373.44
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.192 Low confidence Statistical Significance 0.9324 Supporting Reference Compounds 372 E-value 7258.51
Click to view 3D structure	Oxysterols receptor LXR-beta	P55055	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.184 Low confidence Statistical Significance 0.8191 Supporting Reference Compounds 65 E-value 6376.47
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 1 E-value 36.122
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.19 Low confidence Statistical Significance 0.5229 Supporting Reference Compounds 55 E-value 4070.66
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.155 Low confidence Statistical Significance 0.895 Supporting Reference Compounds 102 E-value 6967.51
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.192 Low confidence Statistical Significance 0.9206 Supporting Reference Compounds 193 E-value 7166.88
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.19 Low confidence Statistical Significance 0.2947 Supporting Reference Compounds 20 E-value 2293.91
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.158 Low confidence Statistical Significance 0.919 Supporting Reference Compounds 165 E-value 7154.5
Click to view 3D structure	Nuclear receptor ROR-alpha	P35398	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.155 Low confidence Statistical Significance 0.8181 Supporting Reference Compounds 41 E-value 6369.0
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.192 Low confidence Statistical Significance 0.916 Supporting Reference Compounds 151 E-value 7130.75
Click to view 3D structure	Glyceraldehyde-3-phosphate dehydrogenase	P46406	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 1 E-value 37.4455
Click to view 3D structure	Glucokinase regulatory protein	Q14397	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.147 Low confidence Statistical Significance 0.2473 Supporting Reference Compounds 8 E-value 1924.98
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.159 Low confidence Statistical Significance 0.6844 Supporting Reference Compounds 64 E-value 5328.0
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.159 Low confidence Statistical Significance 0.9934 Supporting Reference Compounds 400 E-value 7733.54
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0183 Supporting Reference Compounds 1 E-value 142.464
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.159 Low confidence Statistical Significance 0.9893 Supporting Reference Compounds 258 E-value 7701.55
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.159 Low confidence Statistical Significance 0.9912 Supporting Reference Compounds 292 E-value 7716.18
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.154 Low confidence Statistical Significance 0.9906 Supporting Reference Compounds 146 E-value 7711.82
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.192 Low confidence Statistical Significance 0.5179 Supporting Reference Compounds 43 E-value 4031.58
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.192 Low confidence Statistical Significance 0.5176 Supporting Reference Compounds 41 E-value 4029.24