Diethyl hexyl phosphate

Base Information

• Chemical Name: Diethyl hexyl phosphate
• CAS No.: 7110-49-8
• Molecular Formula: C10H23O4P
• Molecular Weight: 238.26100
• DSSTox Substance ID: DTXSID10385239
• Nikkaji Number: J761.298B
• Wikidata: Q82177899
• Mol file: 7110-49-8.mol

Synonyms:diethyl hexyl phosphate;7110-49-8;Phosphoric acid, diethyl hexyl ester;diethylhexylphosphoric acid;SCHEMBL536943;DTXSID10385239;Phosphoric acid diethylhexyl ester;AKOS030240214

Chemical Property of Diethyl hexyl phosphate

Chemical Property:

• PSA: 54.57000
• LogP: 3.76440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 238.13339621
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

95% ^*data from raw suppliers

DiethylHexylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOP(=O)(OCC)OCC
• Uses: Diethyl Hexyl Phosphate is an alkylphosphoric acid used in the extraction of uranium from molybednum. Diethyl Hexyl Phosphate is also used as a solid dispersing agent in certain food and beverage containers.

Technology Process of Diethyl hexyl phosphate

There total 3 articles about Diethyl hexyl 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: 66.0%

n-hexylmagnesium bromide (3761-92-0) + Oxiranylidene-2,2-bis(phosphonic acid) tetraethyl ester (35335-22-9) → diethyl n-hexyl phosphate (7110-49-8)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1002/ejoc.200500097

Reference yield: 41.0%

phosphonic acid diethyl ester (762-04-9) + hexan-1-ol (111-27-3) → diethyl n-hexyl phosphate (7110-49-8)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In tetrachloromethane; dichloromethane; at 15 ℃; for 3h;

DOI:10.1080/10426500307865

Reference yield:

→ diethyl n-hexyl phosphate (7110-49-8)

Guidance literature:

n-Hexanol, Natrium, Phosphorsaeurediethylesterchlorid;

DOI:10.1021/bi00844a043

upstream raw materials:

phosphonic acid diethyl ester

hexan-1-ol

n-hexylmagnesium bromide

Oxiranylidene-2,2-bis(phosphonic acid) tetraethyl ester

Refernces

• 1、 Ilia, Gheorghe,Popa, Adriana,Iliescu, Smaranda,Bora, Alina,Dehelean, Gheorghe,Pascariu, Aurelia. "Synthesis of mixed alkylphosphites and alkylphosphates". . p. 1513 - 1519. Retrieved 2007/10/03.