Hexakis((4-difluoromethylperfluorobutyl)methoxy)cyclotriphosphazene (CED0156017)

Record Information

Version

1.0

Creation Date

2026-04-06 05:33:28 UTC

Update Date

2026-05-21 04:14:53 UTC

SynCED ID

CED0156017

Secondary Accession Numbers

CHEM118183

Identification

Common Name

Hexakis((4-difluoromethylperfluorobutyl)methoxy)cyclotriphosphazene

Class

Small Molecule

Description

Hexakis((4-difluoromethylperfluorobutyl)methoxy)cyclotriphosphazene belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. With an average molecular weight of 1,821 g/mol, Hexakis((4-difluoromethylperfluorobutyl)methoxy)cyclotriphosphazene is a heavy molecule. Its chemical formula is C36H18F60N3O6P3. This compound 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 within the food, food processing & cookware sector, and medical devices within the healthcare, pharmaceuticals & veterinary products sector. Additionally, it is used as lubricants in both the energy, oil & gas sector and the industrial manufacturing & chemical processing sector, along with one further sector. 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

C₃₆H₁₈F₆₀N₃O₆P₃

Average Molecular Mass

1821.380 g/mol

Monoisotopic Mass

1820.945 g/mol

CAS Registry Number

186406-48-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COP1(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=N1

InChI Identifier

InChI=1S/C36H18F60N3O6P3/c37-7(38)19(61,62)31(85,86)25(73,74)13(49,50)1-100-106(101-2-14(51,52)26(75,76)32(87,88)20(63,64)8(39)40)97-107(102-3-15(53,54)27(77,78)33(89,90)21(65,66)9(41)42,103-4-16(55,56)28(79,80)34(91,92)22(67,68)10(43)44)99-108(98-106,104-5-17(57,58)29(81,82)35(93,94)23(69,70)11(45)46)105-6-18(59,60)30(83,84)36(95,96)24(71,72)12(47)48/h7-12H,1-6H2

InChI Key

FCYXYXSADZPFRJ-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

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	Voltage-gated potassium channel KCNC1	P25122	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.1118 Supporting Reference Compounds 1 E-value 870.432
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.159 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 823 E-value 7770.91
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.189 Low confidence Statistical Significance 0.9773 Supporting Reference Compounds 117 E-value 7607.89
Click to view 3D structure	AP2-associated protein kinase 1	Q2M2I8	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.143 Low confidence Statistical Significance 0.9892 Supporting Reference Compounds 161 E-value 7700.92
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.135 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 1498 E-value 7779.01
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.159 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 955 E-value 7778.69
Click to view 3D structure	BMP-2-inducible protein kinase	Q9NSY1	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.127 Low confidence Statistical Significance 0.9907 Supporting Reference Compounds 148 E-value 7712.68
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 1	Q9BUB5	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.127 Low confidence Statistical Significance 0.9873 Supporting Reference Compounds 142 E-value 7686.29
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.133 Low confidence Statistical Significance 0.9987 Supporting Reference Compounds 593 E-value 7775.19
Click to view 3D structure	Obtusifoliol 14-alpha demethylase	P93846	Sorghum bicolor	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.123 Low confidence Statistical Significance 0.462 Supporting Reference Compounds 1 E-value 3596.56
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.135 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 1245 E-value 7779.24
Click to view 3D structure	cGMP-dependent protein kinase 2	Q13237	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.143 Low confidence Statistical Significance 0.9946 Supporting Reference Compounds 380 E-value 7743.12
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.143 Low confidence Statistical Significance 0.9966 Supporting Reference Compounds 550 E-value 7758.22
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.127 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 825 E-value 7777.6
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.127 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 451 E-value 7778.69
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.159 Low confidence Statistical Significance 0.9987 Supporting Reference Compounds 536 E-value 7774.57
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.159 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 953 E-value 7778.38
Click to view 3D structure	Citron Rho-interacting kinase	O14578	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.127 Low confidence Statistical Significance 0.991 Supporting Reference Compounds 115 E-value 7715.25
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.143 Low confidence Statistical Significance 0.9983 Supporting Reference Compounds 754 E-value 7771.45
Click to view 3D structure	Cholesteryl ester transfer protein	P22687	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.141 Low confidence Statistical Significance 0.28 Supporting Reference Compounds 2 E-value 2179.78
Click to view 3D structure	Cyclin-G-associated kinase	O14976	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.127 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 180 E-value 7749.11
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.129 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 1158 E-value 7778.93
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.129 Low confidence Statistical Significance 0.9987 Supporting Reference Compounds 927 E-value 7775.04
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.127 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 1130 E-value 7781.81
Click to view 3D structure	Serine/threonine-protein kinase N2	Q16513	Humans	Predicted (SEA)	Prediction Confidence Score 0.115 Applicability Domain 0.127 Low confidence Statistical Significance 0.998 Supporting Reference Compounds 567 E-value 7769.35