Bis(2-ethylhexyl) phenyl phosphate

Base Information

• Chemical Name: Bis(2-ethylhexyl) phenyl phosphate
• CAS No.: 16368-97-1
• Molecular Formula: C22H39 O4 P
• Molecular Weight: 398.523
• Hs Code.: 2919900090
• European Community (EC) Number: 240-424-5
• DSSTox Substance ID: DTXSID6051770
• Nikkaji Number: J286.875J
• Mol file: 16368-97-1.mol

Synonyms:Bis(2-ethylhexyl) phenyl phosphate;16368-97-1;DAFF;DEPP;Phosphoric acid, bis(2-ethylhexyl) phenyl ester;Di(2-ethylhexyl)phenyl phosphate;Bis(2-ethylhexyl)phenyl phosphate;EINECS 240-424-5;BRN 2012463;AI3-16977;Phosphoric acid, bis(2-ethylhexyl)phenyl ester;4-06-00-00712 (Beilstein Handbook Reference);SCHEMBL124717;Bis(2-ethylhexyl)phenylphosphate;DTXSID6051770;bis-(2-ethylhexyl)-phenyl phosphate;AKOS037645593;AS-61644;LS-107477;Phosphoric acid bis(2-ethylhexyl)phenyl ester;D93135

Chemical Property of Bis(2-ethylhexyl) phenyl phosphate

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Boiling Point: 442.9°C at 760 mmHg
• Flash Point: 235°C
• PSA: 54.57000
• Density: 0.999g/cm³
• LogP: 7.63950
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 398.25859672
• Heavy Atom Count: 27
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

BIS(2-ETHYLHEXYL) PHENYL PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC1=CC=CC=C1

Technology Process of Bis(2-ethylhexyl) phenyl phosphate

There total 4 articles about Bis(2-ethylhexyl) phenyl 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: 73.0%

Bis(2-ethylhexyl)phosphoric acid (298-07-7) + phenylboronic acid (98-80-6) → di-(2-ethylhexyl)phenyl phosphate (16368-97-1)

Guidance literature:

With oxygen; urea; copper(I) bromide; In acetonitrile; at 80 ℃; for 12h; Molecular sieve; Schlenk technique;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + phosphoric acid triphenyl ester (115-86-6) + O-phenyl phosphorodichloridate (770-12-7) + chlorophosphoric acid diphenyl ester (2524-64-3) → diphenyl hydrogen phosphate (838-85-7) + 3-(chloromethyl)heptane (123-04-6) + di-(2-ethylhexyl)phenyl phosphate (16368-97-1) + santicizer 141 (1241-94-7)

Guidance literature:

magnesium chloride; at 120 ℃; for 5.5 - 7h; under 50 - 150 Torr; Product distribution / selectivity;

Reference yield:

phenol (108-95-2,27073-41-2) → di-(2-ethylhexyl)phenyl phosphate (16368-97-1)

Guidance literature:

With sodium hydroxide; benzene; anschliessendes Erwaermen mit opt.-inakt. Chlorophosphorsaeure-bis-<2-aethyl-hexylester>;

upstream raw materials:

phenol

2-Ethylhexyl alcohol

phosphoric acid triphenyl ester

O-phenyl phosphorodichloridate

Refernces

• 1、 -. "Process to prepare alkyl phenyl phosphates". Page/Page column 5-6. . Retrieved 2008/06/13.