Tricresyl phosphate

Base Information

• Chemical Name: Tricresyl phosphate
• CAS No.: 78-32-0
• Molecular Formula: C21H21 O4 P
• Molecular Weight: 368.369
• Hs Code.: HOSPHATE PRODUCT IDENTIFICATION
• European Community (EC) Number: 215-548-8,201-105-6,809-930-9
• NSC Number: 2181
• UN Number: 3082,2574
• UNII: 5149JKD098
• DSSTox Substance ID: DTXSID5052676
• Nikkaji Number: J1.952F
• Wikipedia: Tricresyl_phosphate
• Wikidata: Q26840796
• ChEMBL ID: CHEMBL1596847
• Mol file: 78-32-0.mol

Synonyms:Phosphate, Tricresyl;Phosphate, Tritolyl;Phosphates, Tricresyl;Phosphates, Tritolyl;Tricresyl Phosphate;Tricresyl Phosphates;Tritolyl Phosphate;Tritolyl Phosphates

Chemical Property of Tricresyl phosphate

Chemical Property:

• Appearance/Colour: WHITE TO LIGHT BROWN POWDER
• Melting Point: 76 - 78 C
• Boiling Point: 430 °C
• Flash Point: 410 °C
• PSA: 54.57000
• Density: 1.247
• LogP: 6.25670
• Water Solubility.: 0.3 mg l-1
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 368.11774614
• Heavy Atom Count: 26
• Complexity: 392
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

PhosphoricAcidTris(4-?methylphenyl)Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: N-Xn,N,Xn
• Statements: 51/53-21/22
• Safety Statements: 61-28A-28

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

Technology Process of Tricresyl phosphate

There total 20 articles about Tricresyl phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

tri-p-tolylphosphite (620-42-8) → tri-p-cresyl phosphate (78-32-0)

Guidance literature:

With 1-methyl-3-(4-((2,4,6-triisopropylphenyl)tellanyl)benzyl)-1H-imidazol-3-ium hexafluorophosphate; Rose Bengal lactone; at 15 ℃; for 2.5h; Irradiation; Ionic liquid;

DOI:10.1055/s-0040-1706068

Reference yield: 94.0%

sodium 4-methylphenoxide (1121-70-6) → tri-p-cresyl phosphate (78-32-0)

Guidance literature:

With PEG-1500; trichlorophosphate; In chloroform; water; at 30 - 45 ℃; for 1.5h;

Reference yield: 94.0%

potassium p-cresolate (1192-96-7) → tri-p-cresyl phosphate (78-32-0)

Guidance literature:

With PEG-400; trichlorophosphate; In chloroform; water;

upstream raw materials:

p-cresol

1,1,2,2-Tetrachloro-propyl-phosphorimidic acid tri-p-tolyl ester

styrene

3-phenyl-5-trifluoromethyl-2,2,2-tris(4-methylphenoxy)-2,3-dihydro-1,3,4,2-oxadiazaphosphole

Downstream raw materials:

para-methylbenzonitrile

p-cresol

Triphenylphosphine oxide

bis-(4-methylphenyl)phosphoric acid

Refernces

• 1、 Mihoya, Aya,Shibuya, Yuga,Ito, Akane,Toyoda, Anna,Oba, Makoto,Koguchi, Shinichi. "Aerobic Oxidation of Phosphite Esters to Phosphate Esters by Using an Ionic-Liquid-Supported Organotelluride Reusable Catalyst". supporting information. p. 2043 - 2045. Retrieved 2020/11/10.
• 2、 Kumar, Adesh,Yadav. "Reaction kinetics on hydrolysis of substituted di-phenyl phosphate ester in different borate buffers". body text. p. 863 - 867. Retrieved 2011/04/25.