Dioctyl phosphonate

Base Information

• Chemical Name: Dioctyl phosphonate
• CAS No.: 1809-14-9
• Deprecated CAS: 198651-00-2
• Molecular Formula: C16H35O3P
• Molecular Weight: 306.426
• Hs Code.: 2920909090
• European Community (EC) Number: 217-315-6
• UNII: Q1288UQR6Q
• DSSTox Substance ID: DTXSID6051481
• Wikidata: Q27286869
• Mol file: 1809-14-9.mol

Synonyms:Dioctyl phosphonate;1809-14-9;Phosphonic acid, dioctyl ester;dioctoxy(oxo)phosphanium;Di(n-octyl)phosphite;EINECS 217-315-6;UNII-Q1288UQR6Q;Q1288UQR6Q;dioctylphosphonate;IRGAFOS OPH;SCHEMBL35168;DTXSID6051481;PHOSPHOROUS ACID, DIOCTYL ESTER;LS-181592;LS-190719;LS-194398;W-109713;Q27286869

Chemical Property of Dioctyl phosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 381.265 °C at 760 mmHg
• Flash Point: 203.539 °C
• PSA: 59.00000
• Density: 0.926[at 20℃]
• LogP: 6.13030
• Water Solubility.: 47.2mg/L at 20℃
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 305.22455694
• Heavy Atom Count: 20
• Complexity: 190

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCO[P+](=O)OCCCCCCCC

Technology Process of Dioctyl phosphonate

There total 9 articles about Dioctyl phosphonate 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: 96.0%

octanol (111-87-5) + tetramethylphosphorodiamidous acid (5843-26-5) → di(n-octyl)phosphite (1809-14-9)

Guidance literature:

In toluene; at 90 ℃; for 2h;

Reference yield: 94.8%

octanol (111-87-5) → di(n-octyl)phosphite (1809-14-9)

Guidance literature:

With phosphorus trichloride; In benzene; at 5 ℃; Time; Inert atmosphere;

Reference yield: 85.0%

octanol (111-87-5) + phosphonic acid diethyl ester (762-04-9) → di(n-octyl)phosphite (1809-14-9)

Guidance literature:

With sodium hydride; at 160 ℃;

DOI:10.1039/d1sc03831a

upstream raw materials:

octanol

phosphonic acid diethyl ester

tetramethylphosphorodiamidous acid

Phosphorochloridous acid dioctyl ester

Downstream raw materials:

octyl hydrogen-(α-anilinobenzyl)-phosphonate

Diethyl phosphate

phosphoric acid ethyl ester-octyl ester

phosphoric acid dioctyl ester

Refernces

• 1、 Das, Dhrubajyoti,Brahmmananda Rao,Sivaraman,Sivaramakrishna, Akella,Vijayakrishna, Kari. "Synthesis and extraction behavior of alkyl and cyclic aminophosphonates towards actinides". . p. 597 - 604. Retrieved 2018.
• 2、 Chen, Shuang,Wu, Tingting,Zhao, Chen. "Synthesis of Branched Biolubricant Base Oil from Oleic Acid". . p. 5516 - 5522. Retrieved 2020/09/07.