Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester

Base Information

• Chemical Name: Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester
• CAS No.: 14802-03-0
• Molecular Formula: C16H35O4P
• Molecular Weight: 306.426
• Hs Code.: 29349990
• European Community (EC) Number: 238-865-3
• DSSTox Substance ID: DTXSID30864536
• Nikkaji Number: J227.193A
• Mol file: 14802-03-0.mol

Synonyms:2-EPAMEE;2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester

Chemical Property of Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester

Chemical Property:

• Appearance/Colour: Colorless or slightly yellow oily liquid
• Vapor Pressure: 3.46E-07mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 390.6 °C at 760 mmHg
• PKA: 2.95±0.10(Predicted)
• Flash Point: 190oC
• PSA: 56.34000
• Density: 0.953 g/cm³
• LogP: 5.62120
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 306.23238197
• Heavy Atom Count: 20
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Mono-2-ethylhexyl (2-Ethylhexyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCC(CC)COP(=O)(CC(CC)CCCC)O
• Uses: 2-ethylhexyl hydrogen -2-ethylhexylphosphonate belongs to ester organic matter, an acidic phosphorus type extractant, which is used for the extraction and separation of rare earth elements and non-ferrous metals.

Technology Process of Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) ester

There total 1 articles about Phosphonic acid, P-(2-ethylhexyl)-, mono(2-ethylhexyl) 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:

→ (2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester (14802-03-0)

Guidance literature:

entspr. Diester, 10percentig wss. NaOH;

DOI:10.1016/0022-1902(59)80093-2

Reference yield: 92.0%

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester (14802-03-0) + Diphenyliodonium triflate (66003-76-7) → C21H37O3P

Guidance literature:

With triethylamine; In toluene; at 110 ℃; for 3h; Inert atmosphere;

DOI:10.1021/cs501523g

Reference yield: 91.0%

(2-ethylhexyl)phosphonic acid mono(2-ethylhexyl) ester (14802-03-0) + benzyl bromide (100-39-0) → benzyl 2-ethylhexyl (2-ethylhexyl)phosphonate

Guidance literature:

With caesium carbonate; In acetonitrile; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2014.10.013

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