Tris(2-carboxyethyl)phosphine Hydrochloride (CED0002063)

Record Information
Version1.0
Creation Date2026-04-05 14:34:55 UTC
Update Date2026-05-20 18:28:34 UTC
SynCED IDCED0002063
Secondary Accession Numbers
  • CHEM103773
Identification
Common NameTris(2-carboxyethyl)phosphine Hydrochloride
ClassSmall Molecule
Description
Tris(2-carboxyethyl)phosphine Hydrochloride (C9H16ClO6P) is an organic compound with an average molecular weight of 286.64 g/mol. Tris(2-carboxyethyl)phosphine Hydrochloride belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is present in polyethylene terephthalate plastics. It has been identified in or released from four recorded sources: power cables used in electrical and electronic equipment, roofs in building and construction, drinking water and water supply, and the preparation of wine or sparkling wine in food, food processing and cookware. The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H16ClO6P
Average Molecular Mass286.640 g/mol
Monoisotopic Mass286.037 g/mol
CAS Registry Number51805-45-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCl.OC(=O)CCP(CCC(O)=O)CCC(O)=O
InChI IdentifierNot Available
InChI KeyPBVAJRFEEOIAGW-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 Roles
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
kidney cancerAssociated With?Not AvailableA urinary system cancer that is located in the kidney. (DO)PMC13074967
Atypical behaviorAssociated With?increaseNot AvailablePMC12885133
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9943543 , PMC7908579
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC9184578
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC6342267
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?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 EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01170EggsFood, food processing & cookwarePMC11816313
CEDs01882RubberIndustrial manufacturing & chemical processingPMC8910577
CEDs02222Finished Drinking WaterDrinking water & water supplyPMC7908579
CEDs02255WaterAquatic systems & sedimentsPMC5494263 , PMC5695812
CEDs02257WatersAquatic systems & sedimentsPMC9943543
CEDs02264SedimentAquatic systems & sedimentsPMC11503787
CEDs02266River SamplesAquatic systems & sedimentsPMC10458904
CEDs02268Water SamplesAquatic systems & sedimentsPMC9943543
CEDs02270RiverAquatic systems & sedimentsPMC10458904
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC10458904 , PMC7908579
CEDs02340Water BodyAquatic systems & sedimentsPMC11359139
CEDs02362Coastal WatersAquatic systems & sedimentsPMC9943543
CEDs02386Atlantic OceanAquatic systems & sedimentsPMC11948325
CEDs02590DustAir, dust & atmospheric transportPMC9408639 , PMC12885133
CEDs02593House DustAir, dust & atmospheric transportPMC12885133 , PMC12885133
CEDs02738PaintBuilding & ConstructionPMC13111486
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC9080577 , PMC9080577
CEDs03037WWTP effluentsWastewater, sanitation & biosolidsPMC7908579
CEDs03203TextileTextiles, leather & furnishingsPMC6314031
CEDs03226FurnitureTextiles, leather & furnishingsPMC6314031
CEDs03287CarsAutomotive & urban infrastructurePMC6314031
CEDs03453AircraftAviation & AerospacePMC6314031
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.364
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.348
Statistical Significance
7.60e-04
Supporting Reference Compounds
35
E-value
5.91654
Histone lysine demethylase PHF8 structureClick to view 3D structureHistone lysine demethylase PHF8Q9UPP1HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.348
Statistical Significance
1.40e-04
Supporting Reference Compounds
14
E-value
1.08989
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.5
Statistical Significance
0.0012
Supporting Reference Compounds
41
E-value
9.6533
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.333
Statistical Significance
0.0086
Supporting Reference Compounds
197
E-value
67.0282
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.333
Statistical Significance
0.0116
Supporting Reference Compounds
127
E-value
90.2272
Click to view 3D structureSuccinate receptor 1Q99MT6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.5
Statistical Significance
6.00e-05
Supporting Reference Compounds
2
E-value
0.467095
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.333
Statistical Significance
0.0118
Supporting Reference Compounds
89
E-value
92.2513
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.25202
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.333
Statistical Significance
0.0393
Supporting Reference Compounds
192
E-value
306.181
Olfactory receptor 51E2 structureClick to view 3D structureOlfactory receptor 51E2Q9H255HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.381
Statistical Significance
1.30e-04
Supporting Reference Compounds
9
E-value
1.01204
Lysine-specific demethylase 5C structureClick to view 3D structureLysine-specific demethylase 5CP41229HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.348
Statistical Significance
0.0037
Supporting Reference Compounds
45
E-value
28.4928
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.333
Statistical Significance
0.0038
Supporting Reference Compounds
21
E-value
29.2713
Beta-lactamase VIM-1 structureClick to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.261 Low confidence
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.333
Statistical Significance
0.0631
Supporting Reference Compounds
149
E-value
491.618
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.333
Statistical Significance
0.0239
Supporting Reference Compounds
56
E-value
186.371
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.32
Statistical Significance
0.0128
Supporting Reference Compounds
53
E-value
99.4135
4-aminobutyrate aminotransferase, mitochondrial structureClick to view 3D structure4-aminobutyrate aminotransferase, mitochondrialP80147Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.348
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.5995
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.333
Statistical Significance
0.0056
Supporting Reference Compounds
19
E-value
43.5956
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.32
Statistical Significance
0.001
Supporting Reference Compounds
2
E-value
8.09632
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.333
Statistical Significance
0.0497
Supporting Reference Compounds
63
E-value
387.144
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.235 Low confidence
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.235 Low confidence
Statistical Significance
9.10e-04
Supporting Reference Compounds
1
E-value
7.08428
Click to view 3D structureSodium- and chloride-dependent betaine transporterP48065HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.364
Statistical Significance
1.90e-04
Supporting Reference Compounds
8
E-value
1.47914
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available