Dihexyl hydrogen phosphate

Base Information

• Chemical Name: Dihexyl hydrogen phosphate
• CAS No.: 3900-13-8
• Molecular Formula: C12H27 O4 P
• Molecular Weight: 266.318
• Hs Code.: 2919900090
• European Community (EC) Number: 223-452-2
• UNII: 7SOZ72T750
• DSSTox Substance ID: DTXSID40192276
• Nikkaji Number: J217.744G
• Wikidata: Q27268794
• Mol file: 3900-13-8.mol

Synonyms:Dihexyl hydrogen phosphate;dihexyl phosphate;3900-13-8;Phosphoric acid, dihexyl ester;UNII-7SOZ72T750;7SOZ72T750;EINECS 223-452-2;dihexylphosphate;phosphoric acid dihexyl ester;SCHEMBL187773;DTXSID40192276;HEXYL PHOSPHATE ((C6H13O)2(HO)PO);Q27268794

Chemical Property of Dihexyl hydrogen phosphate

Chemical Property:

• Vapor Pressure: 1.42E-05mmHg at 25°C
• Boiling Point: 341.9°C at 760 mmHg
• PKA: 1.52±0.50(Predicted)
• Flash Point: 160.6°C
• PSA: 65.57000
• Density: 1.02g/cm³
• LogP: 4.28060
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 266.16469634
• Heavy Atom Count: 17
• Complexity: 191

Purity/Quality:

99% ^*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: CCCCCCOP(=O)(O)OCCCCCC

Technology Process of Dihexyl hydrogen phosphate

There total 9 articles about Dihexyl 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: 97.0%

dihexyl phosphonate (6151-90-2) → dihexylphosphoric acid (3900-13-8)

Guidance literature:

With Nitrogen dioxide; at 35 ℃; for 1.5h; Cooling;

DOI:10.1055/s-0031-1290823

Reference yield: 86.0%

hexan-1-ol (111-27-3) → hexylphosphoric acid (3900-04-7) + dihexylphosphoric acid (3900-13-8) + trihexyl phosphate (2528-39-4)

Guidance literature:

With phosphorus; tetraethylammonium iodide; In water; acetonitrile; electrolysis;

Reference yield: 79.0%

phosphoric acid dihexyl ester 2-hydroxy-phenyl ester → dihexylphosphoric acid (3900-13-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; water; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1002/jccs.199900133

upstream raw materials:

hexan-1-ol

phosphorochloridic acid dihexyl ester

p-nitrophenyl dihexyl phosphate ester

dihexyl phosphite

Refernces

• 1、 Wu, Pei-Lin,Chen, Jhy-Hong,Huang, Ded-Shih. "Oxidative cleavage of o-hydroxyphenyl phosphate by iodobenzene diacetate". . p. 967 - 970. Retrieved 2007/10/03.
• 2、 Brown, John M.,Bunton, Clifford A.,Diaz, Simon,Ihara, Yasuji. "Dephosphorylation in Functional Micelles. The Role of the Imidazole Group". . p. 4169 - 4174. Retrieved 2007/10/02.