Tris(4-tert-butylphenyl) phosphate

Base Information

• Chemical Name: Tris(4-tert-butylphenyl) phosphate
• CAS No.: 78-33-1
• Molecular Formula: C30H39 O4 P
• Molecular Weight: 494.611
• European Community (EC) Number: 201-106-1
• NSC Number: 2884
• UNII: X7657453VT
• DSSTox Substance ID: DTXSID3051466
• Nikkaji Number: J42.270C
• Wikidata: Q27293629
• Mol file: 78-33-1.mol

Synonyms:Tris(4-tert-butylphenyl) phosphate;78-33-1;Tris(p-tert-butylphenyl) phosphate;p-tert-Butylphenol, phosphate (3:1);TRI-(P-TERT-BUTYLPHENYL) PHOSPHATE;Phenol, 4-(1,1-dimethylethyl)-, phosphate (3:1);TRIS(P-T-BUTYLPHENYL) PHOSPHATE;Phenol, p-tert-butyl-, phosphate (3:1);tri-(p-tert-Butylphenyl)phosphate;tri-p-t-butylphenyl phosphate;UNII-X7657453VT;HSDB 5219;Phosphate, tris(tert-butylphenyl);NSC 2884;NSC-2884;EINECS 201-106-1;X7657453VT;AI3-17846;Phenol, 4-(1,1-dimethylethyl)-, 1,1',1''-phosphate;Phosphen 7;NSC2884;CBDivE_000302;SCHEMBL190945;DTXSID3051466;tris(4-t-butylphenyl) phosphate;tris(p-tert-butylphenyl)phosphat;LORSVOJSXMHDHF-UHFFFAOYSA-;Tris-(tert-butylphenyl) phosphate;Tri-(p-tert.-butylphenyl)-phosphat;MFCD00026302;AKOS001591615;AS-62014;CS-0031808;Phenol,1-dimethylethyl)-, phosphate (3:1);Phenol, 4-(1,1-diemthylethyl)-, phosphate (3:1);Q27293629

Chemical Property of Tris(4-tert-butylphenyl) phosphate

Chemical Property:

• Vapor Pressure: 2.23E-10mmHg at 25°C
• Melting Point: 90℃ (e)
• Boiling Point: 519.5°C at 760 mmHg
• Flash Point: 281.1°C
• PSA: 54.57000
• Density: 1.08g/cm³
• LogP: 9.22400
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 9.60 10-7 mg l-1 (e)
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 494.25859672
• Heavy Atom Count: 35
• Complexity: 594

Purity/Quality:

98%min ^*data from raw suppliers

Tris(p-tert-butylphenyl)Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
• Uses: Tris(p-tert-butylphenyl) Phosphate is a compound with potential application to fire retardants, plasticizers and oils, due to its chemical composition.

Technology Process of Tris(4-tert-butylphenyl) phosphate

There total 7 articles about Tris(4-tert-butylphenyl) 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: 96.0%

sodium 4-tert-butylphenolate (5787-50-8) → tri-p-tert-butylphenol phosphate ester (78-33-1)

Guidance literature:

With PEG-400; trichlorophosphate; In water; toluene; for 1h;

Reference yield: 87.0%

tris(4-(tert-butyl)phenyl) phosphite (4235-89-6) → tri-p-tert-butylphenol phosphate ester (78-33-1)

Guidance literature:

With dihydrogen peroxide; In dimethyl sulfoxide; toluene; at 20 ℃; for 0.5h; Schlenk technique;

DOI:10.1021/acs.orglett.1c01695

Reference yield:

bis(p-tert-butylphenyl) phenyl phosphate (115-87-7) → tri-p-tert-butylphenol phosphate ester (78-33-1) + p-tert-butylphenyl diphenyl phosphate (981-40-8)

Guidance literature:

With potassium carbonate; at 130 - 220 ℃; under 10 Torr; Concentration; Equilibrium constant;

DOI:10.1134/S1070427220080170

upstream raw materials:

para-tert-butylphenol

sodium 4-tert-butylphenolate

tris(4-(tert-butyl)phenyl) phosphite

phosphoric acid triphenyl ester

Downstream raw materials:

4-tert-butylphenyl benzoate

4-tert-butyl benzonitrile

4-(1,1-dimethylethyl)benzoic acid

4-tert-butyldiphenylamine

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