Ether-substituted Perfluoroalkyl (linear) sulfonic acid (OPFLSA_ii n=7) (CED0191275)

Record Information

Version

1.0

Creation Date

2026-04-05 14:50:12 UTC

Update Date

2026-09-01 17:41:35 UTC

SynCED ID

CED0191275

Secondary Accession Numbers

CHEM103922

Identification

Common Name

Ether-substituted Perfluoroalkyl (linear) sulfonic acid (OPFLSA_ii n=7)

Class

Small Molecule

Description

Ether-substituted Perfluoroalkyl (linear) sulfonic acid (OPFLSA_ii n=7) belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. With an average molecular weight of 566.14 g/mol, Ether-substituted Perfluoroalkyl (linear) sulfonic acid (OPFLSA_ii n=7) is a heavy molecule. It has the chemical formula C9HF19O4S. This compound is found in or released from 13 recorded sources across several 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. It is present in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Within the food, food processing and cookware sector, it is found in food packaging. It is also linked to 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, alongside one other sector. Recorded routes of exposure for this substance include inhalation, oral ingestion, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉HF₁₉O₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

565.929 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(C(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F

InChI Identifier

InChI=1S/C9HF19O4S/c10-1(11,3(14,15)5(18,19)9(27,28)33(29,30)31)2(12,13)4(16,17)7(23,24)32-8(25,26)6(20,21)22/h(H,29,30,31)

InChI Key

KLZRJIAEJUXBDM-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
2.54 Log mg/kg [1:4.5]	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
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

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 0.182 Applicability Domain 0.207 Low confidence Statistical Significance 0.7732 Supporting Reference Compounds 472 E-value 6019.22
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.207 Low confidence Statistical Significance 0.7295 Supporting Reference Compounds 407 E-value 5679.41
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.207 Low confidence Statistical Significance 0.7539 Supporting Reference Compounds 242 E-value 5869.13
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.185 Low confidence Statistical Significance 0.9093 Supporting Reference Compounds 372 E-value 7079.22
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.186 Low confidence Statistical Significance 0.0103 Supporting Reference Compounds 6 E-value 80.3404
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.167 Low confidence Statistical Significance 0.851 Supporting Reference Compounds 165 E-value 6624.74
Click to view 3D structure	Oxysterols receptor LXR-beta	P55055	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.17 Low confidence Statistical Significance 0.849 Supporting Reference Compounds 65 E-value 6609.24
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.186 Low confidence Statistical Significance 0.2749 Supporting Reference Compounds 20 E-value 2140.39
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.186 Low confidence Statistical Significance 0.5726 Supporting Reference Compounds 55 E-value 4457.49
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.196 Low confidence Statistical Significance 0.5342 Supporting Reference Compounds 64 E-value 4158.63
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.185 Low confidence Statistical Significance 0.9275 Supporting Reference Compounds 193 E-value 7220.59
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.9103 Supporting Reference Compounds 102 E-value 7087.0
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.185 Low confidence Statistical Significance 0.8986 Supporting Reference Compounds 151 E-value 6995.22
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.157 Low confidence Statistical Significance 0.9128 Supporting Reference Compounds 76 E-value 7105.77
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.196 Low confidence Statistical Significance 0.983 Supporting Reference Compounds 400 E-value 7652.58
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.196 Low confidence Statistical Significance 0.9784 Supporting Reference Compounds 292 E-value 7616.61
Click to view 3D structure	Nuclear receptor ROR-alpha	P35398	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.17 Low confidence Statistical Significance 0.8397 Supporting Reference Compounds 41 E-value 6536.92
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.196 Low confidence Statistical Significance 0.9793 Supporting Reference Compounds 258 E-value 7623.85
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.152 Low confidence Statistical Significance 0.3673 Supporting Reference Compounds 11 E-value 2859.17
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.207 Low confidence Statistical Significance 0.3318 Supporting Reference Compounds 22 E-value 2583.19
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.151 Low confidence Statistical Significance 0.9887 Supporting Reference Compounds 146 E-value 7697.19
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.196 Low confidence Statistical Significance 0.9715 Supporting Reference Compounds 176 E-value 7562.97
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.185 Low confidence Statistical Significance 0.4772 Supporting Reference Compounds 43 E-value 3714.73
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.185 Low confidence Statistical Significance 0.4769 Supporting Reference Compounds 41 E-value 3712.63
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.167 Low confidence Statistical Significance 0.9616 Supporting Reference Compounds 172 E-value 7485.98