Tris(2-propylphenyl) phosphate (CED0106046)

Record Information
Version1.0
Creation Date2026-04-05 05:14:27 UTC
Update Date2026-04-17 19:24:12 UTC
SynCED IDCED0106046
Secondary Accession Numbers
  • CHEM093246
Identification
Common NameTris(2-propylphenyl) phosphate
ClassSmall Molecule
Description
Tris(2-propylphenyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the chemical formula C27H33O4P and an average molecular weight of 452.53 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H33O4P
Average Molecular Mass452.531 g/mol
Monoisotopic Mass452.212 g/mol
CAS Registry Number84642-70-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC1=CC=CC=C1OP(=O)(OC1=CC=CC=C1CCC)OC1=CC=CC=C1CCC
InChI IdentifierInChI=1/C27H33O4P/c1-4-13-22-16-7-10-19-25(22)29-32(28,30-26-20-11-8-17-23(26)14-5-2)31-27-21-12-9-18-24(27)15-6-3/h7-12,16-21H,4-6,13-15H2,1-3H3
InChI KeyFPIUEVPELBLXGL-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
CEDs000591Lifeboats?Lifeboats, used for emergency evacuation at sea, can be a source of synthetic chemical contamination due to the materials and substances used in their construction and maintenance.Marine, shipping & aquaculturePubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0532
Supporting Reference Compounds
373
E-value
414.314
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0747
Supporting Reference Compounds
406
E-value
581.689
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0467
Supporting Reference Compounds
234
E-value
363.945
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.3
Statistical Significance
0.0605
Supporting Reference Compounds
332
E-value
471.377
Click to view 3D structureMuscarinic acetylcholine receptor M3Q8VH26Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0045
Supporting Reference Compounds
52
E-value
35.2657
Click to view 3D structurePutative P2Y purinoceptor 10Q8BFU7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.311
Statistical Significance
7.30e-04
Supporting Reference Compounds
8
E-value
5.68299
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.3
Statistical Significance
0.113
Supporting Reference Compounds
472
E-value
879.93
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.294 Low confidence
Statistical Significance
0.2081
Supporting Reference Compounds
955
E-value
1620.12
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.311
Statistical Significance
0.4442
Supporting Reference Compounds
1498
E-value
3457.98
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.294 Low confidence
Statistical Significance
0.2061
Supporting Reference Compounds
823
E-value
1604.86
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.294 Low confidence
Statistical Significance
0.1738
Supporting Reference Compounds
686
E-value
1353.33
Click to view 3D structureProbable G-protein coupled receptor 34Q9R1K6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.311
Statistical Significance
0.0013
Supporting Reference Compounds
8
E-value
10.2761
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.278 Low confidence
Statistical Significance
0.1369
Supporting Reference Compounds
506
E-value
1065.91
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.3
Statistical Significance
0.0692
Supporting Reference Compounds
242
E-value
538.483
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.288 Low confidence
Statistical Significance
0.1589
Supporting Reference Compounds
541
E-value
1236.79
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.255 Low confidence
Statistical Significance
8.20e-04
Supporting Reference Compounds
1
E-value
6.38364
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0377
Supporting Reference Compounds
95
E-value
293.336
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0842
Supporting Reference Compounds
206
E-value
655.179
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.294 Low confidence
Statistical Significance
0.239
Supporting Reference Compounds
953
E-value
1860.83
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.273 Low confidence
Statistical Significance
0.1423
Supporting Reference Compounds
451
E-value
1107.95
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0743
Supporting Reference Compounds
207
E-value
578.809
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.302
Statistical Significance
0.003
Supporting Reference Compounds
11
E-value
23.1212
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.273 Low confidence
Statistical Significance
0.1838
Supporting Reference Compounds
593
E-value
1430.87
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.288 Low confidence
Statistical Significance
0.1701
Supporting Reference Compounds
528
E-value
1323.9
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseQ4QKG6Haemophilus influenzae (strain 86-028NP)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.03051
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available