Bis(p-tert-butylphenyl) phenyl phosphate

Base Information

• Chemical Name: Bis(p-tert-butylphenyl) phenyl phosphate
• CAS No.: 115-87-7
• Molecular Formula: C26H31 O4 P
• Molecular Weight: 438.504
• Hs Code.: 2919900090
• NSC Number: 44042
• DSSTox Substance ID: DTXSID1073157
• Nikkaji Number: J42.269J
• Wikidata: Q82001566
• Mol file: 115-87-7.mol

Synonyms:115-87-7;Bis(p-tert-butylphenyl) phenyl phosphate;Bis(4-tert-butylphenyl) phenyl phosphate;Phenyl Di-p-tert-butylphenyl Phosphate;NSC 44042;AI3-18185;Phosphoric acid, bis(p-tert-butylphenyl) phenyl ester;Phosphoric acid, bis(4-(1,1-dimethylethyl)phenyl) phenyl ester;Phosphoric acid, bis[4-(1,1-dimethylethyl)phenyl] phenyl ester;SCHEMBL190450;DTXSID1073157;C26H31O4P;Di-p-t-butylphenyl phenyl phosphate;NSC44042;NSC-44042;AKOS030254971;FT-0699957;Monophenyl-di-(p-tert.-butylphenyl)-phosphat;Phosphoric acid bis(4-tert-butylphenyl)phenyl ester;Phosphoric acid,1-dimethylethyl)phenyl] phenyl ester;Phosphoric acid, bis(p-tert-butylphenyl) phenyl ester (8CI)

Chemical Property of Bis(p-tert-butylphenyl) phenyl phosphate

Chemical Property:

• Vapor Pressure: 8.16E-09mmHg at 25°C
• Boiling Point: 477.3°Cat760mmHg
• Flash Point: 255.7°C
• PSA: 54.57000
• Density: 1.12g/cm³
• LogP: 7.92650
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Ethyl Acetate (Slightly)
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 438.19599646
• Heavy Atom Count: 31
• Complexity: 544

Purity/Quality:

98%,99%, ^*data from raw suppliers

PhenylDi-p-tert-butylphenylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(p-tert-butylphenyl) phenyl phosphate

There total 8 articles about Bis(p-tert-butylphenyl) phenyl 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:

para-tert-butylphenol (98-54-4) + phenol (108-95-2,27073-41-2) → phosphoric acid triphenyl ester (115-86-6) + p-tert-butylphenyl diphenyl phosphate (981-40-8) + bis(p-tert-butylphenyl) phenyl phosphate (115-87-7)

Guidance literature:

para-tert-butylphenol; With magnesium chloride; trichlorophosphate; at 95 - 130 ℃; for 6.66667h; Inert atmosphere;

phenol; at 100 - 155 ℃; for 12h; Overall yield = 96.5 %;

Reference yield:

p-tert-butylphenyl diphenyl phosphate (981-40-8) → phosphoric acid triphenyl ester (115-86-6) + bis(p-tert-butylphenyl) phenyl phosphate (115-87-7)

Guidance literature:

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

DOI:10.1134/S1070427220080170

Reference yield:

para-tert-butylphenol (98-54-4) + phosphoric acid triphenyl ester (115-86-6) → p-tert-butylphenyl diphenyl phosphate (981-40-8) + bis(p-tert-butylphenyl) phenyl phosphate (115-87-7)

Guidance literature:

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

DOI:10.1134/S1070427220080170

upstream raw materials:

para-tert-butylphenol

O-phenyl phosphorodichloridate

phenol

phosphoric acid triphenyl ester

Downstream raw materials:

p-tert-butylphenyl diphenyl phosphate

tri-p-tert-butylphenol phosphate ester

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF A TRIARYL PHOSPHATE ESTER COMPOSITION". Page/Page column 13; 14; 15; 16. . Retrieved 2017/09/08.