Trioctyl phosphate

Base Information

• Chemical Name: Trioctyl phosphate
• CAS No.: 1806-54-8
• Molecular Formula: C24H51 O4 P
• Molecular Weight: 434.64
• Hs Code.: 2919900090
• European Community (EC) Number: 217-305-1
• UNII: 0LV8VW3YJZ
• DSSTox Substance ID: DTXSID6026246
• Nikkaji Number: J2.131H
• Wikidata: Q72499289
• Mol file: 1806-54-8.mol

Synonyms:TRIOCTYL PHOSPHATE;1806-54-8;Phosphoric acid, trioctyl ester;Tri-N-octyl phosphate;EINECS 217-305-1;CCRIS 4886;0LV8VW3YJZ;AI3-05904;Tri Octyl Phosphate;tri-n-Octylphosphate;Phosphoric acid trioctyl;Tris(n-octyl) phosphate;UNII-0LV8VW3YJZ;SCHEMBL37521;DTXSID6026246;LS-949;AKOS015899269

Chemical Property of Trioctyl phosphate

Chemical Property:

• Appearance/Colour: colourless viscous liquid
• Vapor Pressure: 1.06E-06mmHg at 25°C
• Melting Point: -74 C
• Boiling Point: 414.6°Cat760mmHg
• Flash Point: 218°C
• PSA: 54.57000
• Density: 0.928g/cm³
• LogP: 9.22580
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 24
• Exact Mass: 434.35249710
• Heavy Atom Count: 29
• Complexity: 311

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC

Technology Process of Trioctyl phosphate

There total 5 articles about Trioctyl 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: 97.6%

octanol (111-87-5) → tri-n-octyl phosphate (1806-54-8)

Guidance literature:

With trichlorophosphate; In cyclohexanone; at 10 - 30 ℃; for 4h; under 10 Torr;

Reference yield: 50.0%

→ tri-n-octyl phosphate (1806-54-8)

Guidance literature:

Reference yield:

octanol (111-87-5) → n-chlorooctane (111-85-3) + tri-n-octyl phosphate (1806-54-8)

Guidance literature:

With phosphan; chlorine; Rate constant; Thermodynamic data; E_a, ΔS(excit.); also in the presence of pyridine;

upstream raw materials:

octanol

diphenylzinc

Downstream raw materials:

1-octyl p-toluenesulfonate

4-sec-octyltoluene

hydrogenchloride

n-chlorooctane

Refernces

• 1、 -. "Method of synthesizing alkyl phosphate". Paragraph 0050; 0051. . Retrieved 2017/01/02.
• 2、 Dorfman,Polimbetova,Aibasov. "Oxidative P-O and P-C Coupling of Butanol with Phosphine in the Presence of Oxidizers and Platinum(IV) and Platinum(II)". . p. 231 - 247. Retrieved 2007/10/03.