Bis(2-ethylhexyl)-2-ethylhexylphosphonate

Base Information

• Chemical Name: Bis(2-ethylhexyl)-2-ethylhexylphosphonate
• CAS No.: 126-63-6
• Deprecated CAS: 1081539-31-2
• Molecular Formula: C24H51 O3 P
• Molecular Weight: 418.641
• Hs Code.: 2931900090
• European Community (EC) Number: 204-795-7
• NSC Number: 7076,6520
• DSSTox Substance ID: DTXSID40861773
• Nikkaji Number: J184.349D
• Mol file: 126-63-6.mol

Synonyms:126-63-6;Bis(2-ethylhexyl)-2-ethylhexylphosphonate;Bis(2-ethylhexyl) 2-ethylhexylphosphonate;Phosphonic acid, P-(2-ethylhexyl)-, bis(2-ethylhexyl) ester;3-[[2-ethylhexoxy(2-ethylhexyl)phosphoryl]oxymethyl]heptane;NSC 6520;EINECS 204-795-7;Phosphonic acid, (2-ethylhexyl)-, bis(2-ethylhexyl) ester;AI3-23076;bis(2-ethylhexyl) (2-ethylhexyl)phosphonate;UNII-0WDL6VDL70;SCHEMBL37424;Sodium phenosulfonate dihydrate;Sodium phenolsulfonate dihydrate;DTXSID40861773;NSC6520;NSC7076;NSC-6520;NSC-7076;TRIS(2-ETHYLHEXYL)PHOSPHONATE;Sodium phenolsulfonate dihydrate [MI];1300-52-3;Bis(2-ethylhexyl)-2-ethylhexyl phosphonate;di-(2-ethylhexyl) 2-ethylhexyl phosphonate;FT-0751679;Aniline-3-beta-ethylsulfonylsulfate-6-sulfonicacid;2-Ethylhexylphosphonic acid bis(2-ethylhexyl) ester;Bis(2-ethyl-1-hexyl)-2-ethyl-1-hexyl phosphonate;Benzenesulfonic acid, hydroxy-, monosodium salt, dihydrate

Chemical Property of Bis(2-ethylhexyl)-2-ethylhexylphosphonate

Chemical Property:

• Vapor Pressure: 7.02E-09mmHg at 25°C
• Boiling Point: 479.2°Cat760mmHg
• Flash Point: 256.8°C
• PSA: 45.34000
• Density: 0.904g/cm³
• LogP: 8.86190
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 418.35758248
• Heavy Atom Count: 28
• Complexity: 362

Purity/Quality:

98%min ^*data from raw 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)OCC(CC)CCCC
• Uses: Heavy metal extraction, solvent separation, gasoline additive, antifoam agent, plasticizer, stabilizer, textile conditioner, and antistatic agent.

Technology Process of Bis(2-ethylhexyl)-2-ethylhexylphosphonate

There total 4 articles about Bis(2-ethylhexyl)-2-ethylhexylphosphonate 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 alcohol (104-76-7) + C8H17Cl2OP → bis(2-ethylhexyl) 2-ethylhexylphosphonate (126-63-6)

Guidance literature:

With pyridine; In diethyl ether; at 20 ℃; for 21.5h; Inert atmosphere;

DOI:10.1055/s-0037-1609435

Reference yield:

2-ethylhexylmagnesium bromide → bis(2-ethylhexyl) 2-ethylhexylphosphonate (126-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: zinc(II) chloride / diethyl ether / 2.5 h / 20 °C / Inert atmosphere

2: trichlorophosphate / diethyl ether / 46.5 h / 20 °C / Inert atmosphere

3: pyridine / diethyl ether / 21.5 h / 20 °C / Inert atmosphere

With pyridine; zinc(II) chloride; trichlorophosphate; In diethyl ether;

DOI:10.1055/s-0037-1609435

Reference yield:

C16H34Zn → bis(2-ethylhexyl) 2-ethylhexylphosphonate (126-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / diethyl ether / 46.5 h / 20 °C / Inert atmosphere

2: pyridine / diethyl ether / 21.5 h / 20 °C / Inert atmosphere

With pyridine; trichlorophosphate; In diethyl ether;

DOI:10.1055/s-0037-1609435

upstream raw materials:

tris(2-ethylhexyl) phosphite

methyl iodide

2-Ethylhexyl alcohol

Refernces