Trihexyl phosphate

Base Information

• Chemical Name: Trihexyl phosphate
• CAS No.: 2528-39-4
• Molecular Formula: C18H39O4P
• Molecular Weight: 350.479
• Hs Code.: 2919900090
• European Community (EC) Number: 219-774-8
• UNII: HN844S3C6X
• DSSTox Substance ID: DTXSID1074597
• Nikkaji Number: J192.015D
• Wikidata: Q82002866
• Mol file: 2528-39-4.mol

Synonyms:Trihexyl phosphate;2528-39-4;Phosphoric acid, trihexyl ester;TRIHEXYLPHOSPHATE;tri-n-hexyl phosphate;EINECS 219-774-8;Tri(n-hexyl) phosphate;SCHEMBL235364;HN844S3C6X;DTXSID1074597;CAA52839;MFCD00015351;AKOS005110998;AS-56952;CS-0333457;FT-0682672;A935514;J-015909

Chemical Property of Trihexyl phosphate

Chemical Property:

• Vapor Pressure: 6.99E-05mmHg at 25°C
• Refractive Index: 1.441
• Boiling Point: 354.1 °C at 760 mmHg
• Flash Point: 181.6 °C
• PSA: 54.57000
• Density: 0.95 g/cm³
• LogP: 6.88520
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 250μg/L at 20℃
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 350.25859672
• Heavy Atom Count: 23
• Complexity: 241

Purity/Quality:

98% ^*data from raw suppliers

TrihexylPhosphate(>90%) ^*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: CCCCCCOP(=O)(OCCCCCC)OCCCCCC
• Uses: Trihexyl Phosphate is used as a modifier in the flame-retardant, polyphenylene oxide.

Technology Process of Trihexyl phosphate

There total 5 articles about Trihexyl 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: 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:

hexan-1-ol (111-27-3) → trihexyl phosphate (2528-39-4)

Guidance literature:

With trichlorophosphate;

Reference yield:

sodium hexanolate (19779-06-7) → trihexyl phosphate (2528-39-4)

Guidance literature:

With diethyl ether; trichlorophosphate;

upstream raw materials:

sodium hexanolate

hexan-1-ol

Refernces

• 1、 Pitchaiah,Sivaraman,Lamba, Neha,Madras, Giridhar. "Experimental determination and model correlation for the solubilities of trialkyl phosphates in supercritical carbon dioxide". . p. 51286 - 51295. Retrieved 2016/06/09.
• 2、 Romakhin,Nikitin. "Synthesis of Trialkyl Phosphates from White Phosphorus". . p. 1023 - 1026. Retrieved 2007/10/03.