Dodecyl diethyl phosphate

Base Information

• Chemical Name: Dodecyl diethyl phosphate
• CAS No.: 91776-68-0
• Molecular Formula: C₁₆H₃₅O₄P
• Molecular Weight: 322.425
• NSC Number: 191790
• DSSTox Substance ID: DTXSID80307483
• Wikidata: Q82054893
• Mol file: 91776-68-0.mol

Synonyms:91776-68-0;dodecyl diethyl phosphate;Diethyl dodecyl phosphate;SCHEMBL7870764;DTXSID80307483;YBSWYHAWMOPART-UHFFFAOYSA-N;NSC191790;Phosphoric acid, diethyl dodecyl ester;NSC-191790

Chemical Property of Dodecyl diethyl phosphate

Chemical Property:

• Vapor Pressure: 0.000276mmHg at 25°C
• Boiling Point: 332.8°Cat760mmHg
• Flash Point: 168.8°C
• Density: 0.959g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 322.22729659
• Heavy Atom Count: 21
• Complexity: 249

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOP(=O)(OCC)OCC

Technology Process of Dodecyl diethyl phosphate

There total 2 articles about Dodecyl diethyl 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: 98.0%

1-dodecyl alcohol (112-53-8) + diethyl chlorophosphate (814-49-3) → Diaethyl-dodecyl-phosphat (91776-68-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1055/s-0032-1317344 DOI:10.1055/s-0032-1317344

Reference yield:

triethyl phosphate (78-40-0) + 1-dodecylbromide (143-15-7) → Diaethyl-dodecyl-phosphat (91776-68-0)

Guidance literature:

at 220 ℃;

DOI:10.1021/jo01050a077

upstream raw materials:

1-dodecyl alcohol

diethyl chlorophosphate

triethyl phosphate

1-dodecylbromide

Refernces

• 1、 Pisarek, Sabina,Bednarski, Hubert,Gryko, Dorota. "An efficient method for phosphorylation of alcohols: Preparation of porphyrin-derived phosphates". . p. 2667 - 2671. Retrieved 2013/01/15.