Phenyl di(p-tolyl) phosphate (CED0024183)

Record Information
Version1.0
Creation Date2026-04-03 23:02:08 UTC
Update Date2026-08-20 05:17:33 UTC
SynCED IDCED0024183
Secondary Accession Numbers
  • CHEM068905
Identification
Common NamePhenyl di(p-tolyl) phosphate
ClassSmall Molecule
Description
Phenyl di(p-tolyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This compound has the formula C20H19O4P and an average molecular weight of 354.34 g/mol. The substance has been identified in or released from two recorded sources: indoor air (air, dust & atmospheric transport) and antennas (electrical & electronic equipment). The recorded route of exposure for this compound is inhalation. Regarding its presence in plastics, evidence is inconclusive in polyurethane.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Phenyl di(p-tolyl) phosphoric acidGenerator
Chemical FormulaC20H19O4P1
Average Molecular Mass354.342 g/mol
Monoisotopic Mass354.102 g/mol
CAS Registry Number34909-69-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC=C(OP(=O)(OC2=CC=CC=C2)OC2=CC=C(C)C=C2)C=C1
InChI IdentifierInChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChI KeyNVMHZSCMWYZDCC-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
  • Toluene
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
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 Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2203.0 Log mg/kg [1200:3900]RatLD50oralpredictedNot AvailableNot 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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentNot Available
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 EquipmentNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
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 structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.368
Statistical Significance
0.0204
Supporting Reference Compounds
407
E-value
158.579
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.368
Statistical Significance
0.0248
Supporting Reference Compounds
472
E-value
192.755
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.368
Statistical Significance
0.029
Supporting Reference Compounds
372
E-value
225.996
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.368
Statistical Significance
0.0259
Supporting Reference Compounds
332
E-value
202.019
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.317
Statistical Significance
0.0403
Supporting Reference Compounds
425
E-value
313.577
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.368
Statistical Significance
0.0393
Supporting Reference Compounds
242
E-value
305.714
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0741
Supporting Reference Compounds
331
E-value
577.252
Regulator of G-protein signaling 8 structureClick to view 3D structureRegulator of G-protein signaling 8P57771HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.273 Low confidence
Statistical Significance
9.70e-04
Supporting Reference Compounds
2
E-value
7.55137
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.333
Statistical Significance
0.3142
Supporting Reference Compounds
1245
E-value
2446.26
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.319
Statistical Significance
0.0051
Supporting Reference Compounds
56
E-value
39.4696
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.265 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
Click to view 3D structureCytochrome P450 2A5P20852Mus musculusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.333
Statistical Significance
8.90e-04
Supporting Reference Compounds
11
E-value
6.92858
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0121
Supporting Reference Compounds
105
E-value
94.1197
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0284
Supporting Reference Compounds
117
E-value
221.403
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.262 Low confidence
Statistical Significance
0.1085
Supporting Reference Compounds
315
E-value
844.664
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0555
Supporting Reference Compounds
151
E-value
432.297
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.368
Statistical Significance
0.0431
Supporting Reference Compounds
193
E-value
335.919
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0201
Supporting Reference Compounds
68
E-value
156.71
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0365
Supporting Reference Compounds
74
E-value
283.916
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0553
Supporting Reference Compounds
166
E-value
430.428
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.359
Statistical Significance
0.145
Supporting Reference Compounds
406
E-value
1129.2
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.359
Statistical Significance
0.0191
Supporting Reference Compounds
70
E-value
148.536
Glutamyl endopeptidase structureClick to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0094
Supporting Reference Compounds
1
E-value
73.4897
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.283 Low confidence
Statistical Significance
0.109
Supporting Reference Compounds
269
E-value
848.712
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID631942
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available