Phosphoric acid, triisoamyl ester

Base Information

• Chemical Name: Phosphoric acid, triisoamyl ester
• CAS No.: 919-62-0
• Molecular Formula: C15H33 O4 P
• Molecular Weight: 308.398
• DSSTox Substance ID: DTXSID60919462
• Nikkaji Number: J421.543E
• Wikidata: Q82891979
• Mol file: 919-62-0.mol

Synonyms:Phosphoric acid, triisoamyl ester;919-62-0;tris(3-methylbutyl) phosphate;1-Butanol, 3-methyl-, phosphate (3:1);1-Butanol, 3-methyl-, 1,1',1''-phosphate;triisoamyl phosphate;SCHEMBL1200178;Phosphoric acid triisoamyl ester;DTXSID60919462;phosphoric acid triisopentyl ester;tri(3-methyl-1-butyl) phosphate;A935405

Chemical Property of Phosphoric acid, triisoamyl ester

Chemical Property:

• Vapor Pressure: 0.00235mmHg at 25°C
• Boiling Point: 297.7°Cat760mmHg
• Flash Point: 147.8°C
• PSA: 54.57000
• Density: 0.962g/cm³
• LogP: 5.28260
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 308.21164653
• Heavy Atom Count: 20
• Complexity: 234

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOP(=O)(OCCC(C)C)OCCC(C)C

Technology Process of Phosphoric acid, triisoamyl ester

There total 3 articles about Phosphoric acid, triisoamyl 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: 92.8%

i-Amyl alcohol (123-51-3) → triisoamyl phosphate (919-62-0) + 1-chloro-3-methylbutane (107-84-6)

Guidance literature:

With zinc(II) phosphide; oxygen; copper dichloride; at 60 ℃; under 750.06 Torr; Title compound not separated from byproducts;

Reference yield: 61.7%

i-Amyl alcohol (123-51-3) → diisoamylphosphoric acid (3985-20-4) + triisoamyl phosphate (919-62-0)

Guidance literature:

With sodium hypophosphite; copper dichloride; at 24.9 ℃; for 246h;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + zinc(II) phosphide + i-Amyl alcohol (123-51-3) + oxygen (80937-33-3) → diisoamylphosphoric acid (3985-20-4) + triisoamyl phosphate (919-62-0) + 1-chloro-3-methylbutane (107-84-6) + zinc(II) chloride (7646-85-7,24359-56-6)

Guidance literature:

copper dichloride; In further solvent(s); Kinetics;

upstream raw materials:

i-Amyl alcohol

hydrogenchloride

oxygen