Trioctyl borate

Base Information

• Chemical Name: Trioctyl borate
• CAS No.: 2467-12-1
• Molecular Formula: C24H51 B O3
• Molecular Weight: 398.478
• European Community (EC) Number: 219-580-3
• NSC Number: 783
• DSSTox Substance ID: DTXSID3062441
• Nikkaji Number: J42.795K
• Wikidata: Q72514656
• Mol file: 2467-12-1.mol

Synonyms:Trioctyl borate;Tri-n-octyl borate;2467-12-1;Boric Acid Tri-n-octyl Ester;trioctoxyborane;Boric acid (H3BO3), trioctyl ester;Trioctyloxyborane;Octyl borate, (C8H17O)3 B;BORIC ACID, TRI-n-OCTYL ESTER;NSC 783;EINECS 219-580-3;BRN 1712338;AI3-51846;Boric Acid Trioctyl Ester;Tris(octyloxy)borane;SCHEMBL205139;WLN: 8OBO8&O8;NSC783;DTXSID3062441;NSC-783;CAA46712;MFCD00027324;AKOS015833600;LS-45042;B2095;CS-0226516;FT-0634298;N10386;4-01-00-01765 (Beilstein Handbook Reference)

Chemical Property of Trioctyl borate

Chemical Property:

• Vapor Pressure: 6.57E-06mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 389 °C at 760 mmHg
• Flash Point: 167.3 °C
• PSA: 27.69000
• Density: 0.855 g/cm³
• LogP: 8.10260
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 24
• Exact Mass: 398.3931257
• Heavy Atom Count: 28
• Complexity: 234

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tri-n-octyl Borate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC

Technology Process of Trioctyl borate

There total 7 articles about Trioctyl borate 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:

sodium aminodiboranate + Octanal (124-13-0) → tri-n-octyl borate (2467-12-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.0833333h; chemoselective reaction;

DOI:10.1055/a-1479-5008

Reference yield:

octanol (111-87-5) → tri-n-octyl borate (2467-12-1)

Guidance literature:

With boron trichloride; pentane; at -80 ℃;

DOI:10.1039/jr9550003084

Reference yield:

octanol (111-87-5) + N-(1,3,2-dioxaboryl-2-yl)N-phenyl-N'-t-butylurea (98220-98-5) → tri-n-octyl borate (2467-12-1)

Guidance literature:

DOI:10.1039/jr9640002108

upstream raw materials:

octanol

N-(1,3,2-dioxaboryl-2-yl)N-phenyl-N'-t-butylurea

bis(n-octyloxy)chloroborane

(n-octyloxy)dichloroborane

Downstream raw materials:

1-Fluoro-octane

octanol

bis(n-octyloxy)chloroborane

oct-1-ene

Refernces

• 1、 Gunes, Deniz,Sirkecioglu, Okan,Bicak, Niyazi. "Aliphatic thioethers by s-alkylation of thiols via trialkyl borates". body text. p. 1685 - 1690. Retrieved 2010/09/17.