Dihexadecyl hydrogen phosphate

Base Information

• Chemical Name: Dihexadecyl hydrogen phosphate
• CAS No.: 2197-63-9
• Molecular Formula: C32H67O4P
• Molecular Weight: 546.855
• Hs Code.: 2919900090
• European Community (EC) Number: 218-594-7
• NSC Number: 12429
• UNII: 2V6E5WN99N
• DSSTox Substance ID: DTXSID7062243
• Nikkaji Number: J150.110K
• Wikidata: Q27127272
• RXCUI: 1314346
• Metabolomics Workbench ID: 61135
• Mol file: 2197-63-9.mol

Synonyms:dicetyl phosphate;dicetylphosphate;dicetylphosphate potassium salt;dihexadecyl phosphate

Chemical Property of Dihexadecyl hydrogen phosphate

Chemical Property:

• Vapor Pressure: 5.8E-09mmHg at 25°C
• Melting Point: 74-75 °C(lit.)
• Boiling Point: 600.4 °C at 760 mmHg
• Flash Point: 316.9 °C
• PSA: 65.57000
• Density: 0.925 g/cm³
• LogP: 12.08260
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 32
• Exact Mass: 546.47769761
• Heavy Atom Count: 37
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

Dihexadecyl phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
• Uses: dicetyl phosphate is used in cosmetic preparations as an emulsifier and surfactant. Dihexadecyl phosphate is a lipid used for research purposes.

Technology Process of Dihexadecyl hydrogen phosphate

There total 6 articles about Dihexadecyl hydrogen 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: 11.0%

1-Hexadecanol (36653-82-4,124-29-8) → dihexadecyl hydrogen phosphate (2197-63-9)

Guidance literature:

With trichlorophosphate; at 80 ℃;

Reference yield:

chloroform (67-66-3,8013-54-5) + 1-Hexadecanol (36653-82-4,124-29-8) + ethyl metaphosphate (4697-37-4) → ethyl phosphate (1623-14-9) + Diethyl phosphate (598-02-7) + hexadecyl dihydrogen phosphate (3539-43-3) + dihexadecyl hydrogen phosphate (2197-63-9)

Guidance literature:

Produkt 5: Aethylcetylaether (?); Produkt 6: Dicetylaether (?);

Reference yield:

bis(hexadecyl) phosphonate (37032-33-0) + dioctadecyl hydrogen phosphonate (19047-85-9) + ethyl hexadecyl phosphite (1178568-77-8) + ethyl octadecyl phosphite (99051-53-3) + hexadecyl octadecyl phosphite (374074-72-3) → dihexadecyl hydrogen phosphate (2197-63-9) + di-n-octadecyl phosphate (3037-89-6) + phosphoric acid ethyl ester hexadecyl ester (29690-03-7) + ethyl octadecyl phosphate (53852-24-7) + hexadecyl octadecyl phosphate (93803-11-3)

Guidance literature:

bis(hexadecyl) phosphonate; dioctadecyl hydrogen phosphonate; ethyl hexadecyl phosphite; ethyl octadecyl phosphite; hexadecyl octadecyl phosphite; With sodium hypochlorite; sodium hydroxide; at 35 - 60 ℃; pH=9 - 11.5;

With sulfuric acid; pH=2;

upstream raw materials:

chloroform

1-Hexadecanol

ethyl metaphosphate

O-phenyl phosphorodichloridate