Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate (CED0188547)

Record Information

Version

1.0

Creation Date

2026-04-06 07:19:55 UTC

Update Date

2026-08-29 12:48:08 UTC

SynCED ID

CED0188547

Secondary Accession Numbers

CHEM119788

Identification

Common Name

Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate

Class

Small Molecule

Description

Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate belongs to the azo compounds, a subclass of organonitrogen compounds within the organic compounds. This compound is characterized by the chemical formula C18H8F26N2O4. With an average molecular weight of 810.23 g/mol, Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate is a heavy molecule. The substance is associated with 13 recorded sources across multiple sectors. Within Electrical & Electronic Equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. Other identified sources include food packaging from the food, food processing & cookware sector, medical devices from the healthcare, pharmaceuticals & veterinary products sector, and lubricants used in both the energy, oil & gas and industrial manufacturing & chemical processing sectors. One additional sector is also recorded as a source. Human exposure to this compound may occur through inhalation, oral ingestion, or touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₈F₂₆N₂O₄

Average Molecular Mass

810.230 g/mol

Monoisotopic Mass

810.007 g/mol

CAS Registry Number

452912-11-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)N=NC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C18H8F26N2O4/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)1-3-49-5(47)45-46-6(48)50-4-2-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h1-4H2

InChI Key

FTWZHENHOZOCPQ-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
566.0 Log mg/kg [320:1000]	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	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	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.8636
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.1907 Supporting Reference Compounds 1 E-value 1484.82
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.171 Low confidence Statistical Significance 0.0103 Supporting Reference Compounds 2 E-value 80.1847
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.179 Low confidence Statistical Significance 0.9448 Supporting Reference Compounds 266 E-value 7355.58
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.179 Low confidence Statistical Significance 0.9723 Supporting Reference Compounds 373 E-value 7569.44
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.171 Low confidence Statistical Significance 0.8646 Supporting Reference Compounds 106 E-value 6730.53
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.179 Low confidence Statistical Significance 0.9626 Supporting Reference Compounds 297 E-value 7493.45
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.175 Low confidence Statistical Significance 0.9243 Supporting Reference Compounds 226 E-value 7195.37
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.175 Low confidence Statistical Significance 0.9246 Supporting Reference Compounds 227 E-value 7198.33
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.167 Low confidence Statistical Significance 0.1938 Supporting Reference Compounds 11 E-value 1508.41
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.7852 Supporting Reference Compounds 98 E-value 6112.57
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.186 Low confidence Statistical Significance 0.9547 Supporting Reference Compounds 407 E-value 7432.34
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.152 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 6 E-value 87.5804
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.175 Low confidence Statistical Significance 0.912 Supporting Reference Compounds 117 E-value 7100.16
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.149 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 1 E-value 56.7521
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.209 Low confidence Statistical Significance 0.0445 Supporting Reference Compounds 20 E-value 346.118
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.209 Low confidence Statistical Significance 0.1328 Supporting Reference Compounds 40 E-value 1033.53
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.209 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 2 E-value 49.5121
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.185 Low confidence Statistical Significance 0.2641 Supporting Reference Compounds 55 E-value 2056.15
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.209 Low confidence Statistical Significance 0.008 Supporting Reference Compounds 4 E-value 62.6686
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.185 Low confidence Statistical Significance 0.9299 Supporting Reference Compounds 406 E-value 7239.43
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.18 Low confidence Statistical Significance 0.8657 Supporting Reference Compounds 296 E-value 6739.1
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 7.10e-04 Supporting Reference Compounds 1 E-value 5.52729
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.179 Low confidence Statistical Significance 0.9601 Supporting Reference Compounds 385 E-value 7474.23
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.179 Low confidence Statistical Significance 0.9432 Supporting Reference Compounds 310 E-value 7342.97