Phosphoric acid, isooctyl diphenyl ester

Base Information

• Chemical Name: Phosphoric acid, isooctyl diphenyl ester
• CAS No.: 95813-09-5
• Molecular Formula: C₂₀H₂₇O₄P
• Molecular Weight: 362.406
• European Community (EC) Number: 249-556-8
• UNII: QQF8H4W73U
• DSSTox Substance ID: DTXSID7067455
• Wikidata: Q81994048
• Mol file: 95813-09-5.mol

Synonyms:Isooctyl diphenyl phosphate;Phosphoric acid, isooctyl diphenyl ester;6-methylheptyl diphenyl phosphate;QQF8H4W73U;UNII-QQF8H4W73U;29319-57-1;Phosphoric acid, 6-methylheptyl diphenyl ester;95813-09-5;EINECS 249-556-8;SCHEMBL574191;DTXSID7067455;phosphoric acid 6-methyl-heptyl ester diphenyl ester

Chemical Property of Phosphoric acid, isooctyl diphenyl ester

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 362.16469634
• Heavy Atom Count: 25
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

Technology Process of Phosphoric acid, isooctyl diphenyl ester

There total 2 articles about Phosphoric acid, isooctyl diphenyl ester 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:

6-methylheptanol (1653-40-3) → phosphoric acid-(6-methyl-heptyl ester)-diphenyl ester (95813-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphoryl chloride

With trichlorophosphate;

DOI:10.1021/ie50529a062

Reference yield:

dichlorophosphoric acid-(6-methyl-heptyl ester) (117888-18-3) → phosphoric acid-(6-methyl-heptyl ester)-diphenyl ester (95813-09-5)

Guidance literature:

DOI:10.1021/ie50529a062

upstream raw materials:

dichlorophosphoric acid-(6-methyl-heptyl ester)

6-methylheptanol