Tris(2-(perfluorotetradecanyl)ethyl)phosphate (CED0096728)

Record Information
Version1.0
Creation Date2026-04-06 06:48:49 UTC
Update Date2026-08-22 15:02:59 UTC
SynCED IDCED0096728
Secondary Accession Numbers
  • CHEM119338
Identification
Common NameTris(2-(perfluorotetradecanyl)ethyl)phosphate
ClassSmall Molecule
Description
Tris(2-(perfluorotetradecanyl)ethyl)phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 2,336 g/mol, Tris(2-(perfluorotetradecanyl)ethyl)phosphate is a heavy molecule. Its chemical formula is C48H12F87O4P. This compound is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, wires and cables, printed circuit boards, and one additional source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this substance include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC48H12F87O4P
Average Molecular Mass2336.455 g/mol
Monoisotopic Mass2335.908 g/mol
CAS Registry Number393098-44-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C48H12F87O4P/c49-7(50,10(55,56)13(61,62)16(67,68)19(73,74)22(79,80)25(85,86)28(91,92)31(97,98)34(103,104)37(109,110)40(115,116)43(121,122)46(127,128)129)1-4-137-140(136,138-5-2-8(51,52)11(57,58)14(63,64)17(69,70)20(75,76)23(81,82)26(87,88)29(93,94)32(99,100)35(105,106)38(111,112)41(117,118)44(123,124)47(130,131)132)139-6-3-9(53,54)12(59,60)15(65,66)18(71,72)21(77,78)24(83,84)27(89,90)30(95,96)33(101,102)36(107,108)39(113,114)42(119,120)45(125,126)48(133,134)135/h1-6H2
InChI KeyKFHDQTKUUBFHAY-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed 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 EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?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 EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets 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 & furnishingsNot Available
CEDs000454Synthetic 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 & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.179 Low confidence
Statistical Significance
4.40e-04
Supporting Reference Compounds
1
E-value
3.42537
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.173 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.5217
4-hydroxy-3-methylbut-2-enyl diphosphate reductase structureClick to view 3D structure4-hydroxy-3-methylbut-2-enyl diphosphate reductaseO67625Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.171 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
1
E-value
4.5931
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.175 Low confidence
Statistical Significance
0.0034
Supporting Reference Compounds
2
E-value
26.7023
Click to view 3D structureIsopentenyl-diphosphate Delta-isomerase 1O35760Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
5.40e-04
Supporting Reference Compounds
1
E-value
4.20386
Click to view 3D structureFarnesyl pyrophosphate synthaseP05369Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
5.40e-04
Supporting Reference Compounds
1
E-value
4.20386
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0048
Supporting Reference Compounds
1
E-value
37.3676
Triosephosphate isomerase structureClick to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
2
E-value
11.2103
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
12.923
Glucose-6-phosphate isomerase structureClick to view 3D structureGlucose-6-phosphate isomeraseQ9N1E2Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0031
Supporting Reference Compounds
1
E-value
24.2111
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.167 Low confidence
Statistical Significance
0.6386
Supporting Reference Compounds
46
E-value
4971.14
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.167 Low confidence
Statistical Significance
0.2962
Supporting Reference Compounds
22
E-value
2305.66
2-dehydro-3-deoxyphosphooctonate aldolase structureClick to view 3D structure2-dehydro-3-deoxyphosphooctonate aldolaseQ9JZ55Neisseria meningitidis serogroup B (strain MC58)Predicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.152 Low confidence
Statistical Significance
0.0059
Supporting Reference Compounds
1
E-value
46.2424
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.167 Low confidence
Statistical Significance
0.6365
Supporting Reference Compounds
34
E-value
4954.87
Fructose-bisphosphate aldolase A structureClick to view 3D structureFructose-bisphosphate aldolase AP00883Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
2
E-value
20.7079
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.167 Low confidence
Statistical Significance
0.8349
Supporting Reference Compounds
58
E-value
6499.48
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0022
Supporting Reference Compounds
2
E-value
17.5161
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.167 Low confidence
Statistical Significance
0.6896
Supporting Reference Compounds
42
E-value
5368.64
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.15 Low confidence
Statistical Significance
0.1231
Supporting Reference Compounds
14
E-value
958.713
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.15 Low confidence
Statistical Significance
0.1943
Supporting Reference Compounds
15
E-value
1512.92
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.14
Applicability Domain
0.14 Low confidence
Statistical Significance
0.0055
Supporting Reference Compounds
1
E-value
42.8171
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.167 Low confidence
Statistical Significance
0.3776
Supporting Reference Compounds
20
E-value
2939.66
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.167 Low confidence
Statistical Significance
0.0204
Supporting Reference Compounds
2
E-value
159.124
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0057
Supporting Reference Compounds
3
E-value
44.7633
1-deoxy-D-xylulose-5-phosphate synthase structureClick to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseP9WNS3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.175 Low confidence
Statistical Significance
0.0134
Supporting Reference Compounds
2
E-value
104.474
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available