TPP (CED0001742)

Record Information
Version1.0
Creation Date2016-05-19 02:32:13 UTC
Update Date2026-08-19 23:15:25 UTC
Accession NumberCHEM007902
Identification
Common NameTPP
ClassSmall Molecule
Description
TPP is an organic compound with the formula C18H15O4P and an average molecular weight of 326.29 g/mol. TPP belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. Industrially, the compound is used as a binder, a plasticizer, and a flame retardant (PMC10898275, PMC8760154), as well as for processing aids not otherwise specified. Biologically, it is identified as an endocrine disruptor (PMC8910577). TPP has been released from 45 recorded sources. These include electrical and electronic equipment such as amplifiers, antennas, coils, auxiliary devices, and adjustable resistors. It is also found in building and construction materials including floors, ceilings, roofs, fencing, and stairs and ramps. In the category of household cleaning and consumer products, it is associated with bleaching agents, pipe accessories, perfumes within detergents and soaps, cigar cigarettes, and non electric simulated smoking devices. Additional sources include drinking water and water supply, as well as indoor air, dust, and atmospheric transport. Within the food, food processing, and cookware sector, TPP is linked to food contact materials, food preservation, processing meats, processing fish, and the preparation of wort. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
Phosphoric acid, triphenyl esterChEBI
TPPChEBI
Triphenoxyphosphine oxideChEBI
TriphenylphosphateChEBI
Phosphate, triphenyl esterGenerator
Triphenylphosphoric acidGenerator
Triphenyl phosphoric acidGenerator
Chemical FormulaC18H15O4P
Average Molecular Mass326.288 g/mol
Monoisotopic Mass326.071 g/mol
CAS Registry Number115-86-6
IUPAC Nametriphenyl phosphate
Traditional Nametriphenyl phosphate
SMILESO=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1
InChI IdentifierInChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChI KeyXZZNDPSIHUTMOC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentAryl phosphotriesters
Alternative Parents
Substituents
  • Aryl phosphotriester
  • Phenoxy compound
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 Properties
PropertyValueSource
Water Solubility0.034 g/LALOGPS
logP4.16ALOGPS
logP5.09ChemAxon
logS-4ALOGPS
pKa (Strongest Basic)-9.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area44.76 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity87.43 m³·mol⁻¹ChemAxon
Polarizability31.36 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-004m-9043000000-a176102e0ef6a4321433Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0159-0900000000-e91fc1d5871d49c1bb7bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ugi-0594000000-35f784d53311ddeea31fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0960000000-c825b90fc17744aa05c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0159-0900000000-c3d0c11e4677e86ab097Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-290ef7952d3180005ab5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-22062e1e299ffe12ee58Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-53cc04250f618b7ff996Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-4857bcee1817c9c6169dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ge9-0190000000-e95b8bf6bbed2ccbdda7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0920000000-c0367ef0c150bc573208Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-7a4015fdb1c21030d1d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00o0-0190000000-d568272e6e5c74d6c158Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1339000000-18c18e5fdcaf8183f044Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-3791000000-3f26c6e622e0f4fef164Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0019000000-0fb15f274469b784ddf9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1229000000-fe198ca9f0cdf87ed34fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-3791000000-04d7ae0d20d80d7d2515Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0019000000-f9f242a738f0719bd107Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0009000000-acc2798bd96641bb4de4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-5910000000-50206ee60a282bc5a663Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-5900000000-02916898aacc311fa553Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-5930000000-64aed902222f5b82b05aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-4940000000-120a7e98e7584bb13374Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ugi-1692000000-0020baeadde065c6ec2dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-3910000000-60b70b6039c040dabf81Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2890000000-be0c890f0fd28128bafeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udj-7900000000-af2e44b72f314991c6cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ugi-0594000000-4952be592c0f37d59407Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0960000000-8c30ff43d7e96391e9edNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-5930000000-9c5d74274596db84e532Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udj-6910000000-6a647d004e5e20bdf46aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009000000-60cb9f09a629ec27b0c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009000000-835d1b0b9e52b08100eeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6x-9001000000-8aace4f42bfa59816f76Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009000000-fef0b2841cbbd289e304Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0009000000-8cdf6dd409f9316ae3c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fbc-9336000000-c3ca5d4166710e3cdcddNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2441.0Log mg/kg[1400:4300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
19Indoor airAir, dust & atmospheric transportNot Available
115Drinking waterDrinking water & water supplyNot Available
233BrushesPersonal care & cosmeticsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
495CeilingsBuilding & ConstructionNot Available
496FencingBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
501Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
584BuoysMarine, shipping & aquacultureNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
591LifeboatsMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
620Card GamesRecreation & sports surfacesNot Available
624Merry Go RoundsRecreation & sports surfacesNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)0.233548
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)498.469
Click to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)65.6269
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)147.291
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)448.022
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)98.2457
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)1242.79
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)174.304
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)1.16774
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)240.398
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)282.904
Click to view 3D structureAldehyde dehydrogenase 1A1P51647Rattus norvegicusPredicted (SEA)0.389246
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)138.883
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)131.254
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)68.5073
Kallikrein-8 structureClick to view 3D structureKallikrein-8O60259HumansPredicted (SEA)25.5345
Kallikrein-2 structureClick to view 3D structureKallikrein-2P20151HumansPredicted (SEA)48.6558
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)416.415
Click to view 3D structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)0.622794
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)267.646
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)530.62
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)461.957
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)364.49
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)279.712
Click to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)0.233548
Concentrations
StatusValueUnitSample LocationReference
External Links
DrugBank IDNot Available
HMDB IDHMDB0259262
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTriphenyl_phosphate
Chemspider ID7988
ChEBI ID35033
PubChem Compound IDNot Available
Kegg Compound IDC14235
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=24316320
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24395120