Dibutyl decylphosphonate

Base Information

• Chemical Name: Dibutyl decylphosphonate
• CAS No.: 36378-71-9
• Molecular Formula: C18H39O3P
• Molecular Weight: 334.48
• Hs Code.: 2931900090
• NSC Number: 222697
• UNII: J34TDS8MEW
• DSSTox Substance ID: DTXSID00189905
• Nikkaji Number: J50.281B
• Wikidata: Q83062131
• Mol file: 36378-71-9.mol

Synonyms:Dibutyl decylphosphonate;36378-71-9;1-dibutoxyphosphoryldecane;Dibutyl decanephosphonate;Phosphonic acid, decyl-, dibutyl ester;Decylphosphonic acid dibutyl ester;NSC-222697;NSC 222697;BRN 1794154;J34TDS8MEW;SCHEMBL7593201;WLN: 4OPO&O4&10;DTXSID00189905;NSC222697

Chemical Property of Dibutyl decylphosphonate

Chemical Property:

• Vapor Pressure: 1.58E-06mmHg at 25°C
• Refractive Index: 1.4820 (estimate)
• Boiling Point: 409.1°Cat760mmHg
• Flash Point: 214.7°C
• PSA: 45.34000
• Density: 0.922g/cm³
• LogP: 6.95360
• Water Solubility.: <0.2g/L(25 oC)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 334.26368210
• Heavy Atom Count: 22
• Complexity: 255

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCP(=O)(OCCCC)OCCCC

Technology Process of Dibutyl decylphosphonate

There total 3 articles about Dibutyl decylphosphonate 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:

1-bromo dodecane (112-29-8) → decyl-phosphonic acid dibutyl ester (36378-71-9)

Guidance literature:

With n-heptane;

DOI:10.1021/ja01223a046

Reference yield:

dibutyl hydrogen phosphite (1809-19-4) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → decyl-phosphonic acid dibutyl ester (36378-71-9)

Guidance literature:

With di-tert-butyl peroxide;

DOI:10.1021/ja01536a048

Reference yield:

dibutyl hydrogen phosphite (1809-19-4) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → decyl-phosphonic acid dibutyl ester (36378-71-9) + (2-octyl-dodecyl)-phosphonic acid dibutyl ester

Guidance literature:

With di-tert-butyl peroxide;

upstream raw materials:

dibutyl hydrogen phosphite

1-Decene

1-bromo dodecane

Downstream raw materials:

1-decylphosphonic acid