Octyl methanesulfonate

Base Information

• Chemical Name: Octyl methanesulfonate
• CAS No.: 16156-52-8
• Molecular Formula: C9H20O3S
• Molecular Weight: 208.322
• DSSTox Substance ID: DTXSID40472848
• Nikkaji Number: J496.477B
• Wikidata: Q82302027
• Mol file: 16156-52-8.mol

Synonyms:OCTYL METHANESULFONATE;16156-52-8;Methanesulfonic acid, octyl ester;n-octyl mesylate;n-octyl methanesulfonate;SCHEMBL1899016;DTXSID40472848;GRJPLADOIKKOGS-UHFFFAOYSA-N;A810272

Chemical Property of Octyl methanesulfonate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 208.11331567
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOS(=O)(=O)C

Technology Process of Octyl methanesulfonate

There total 1 articles about Octyl methanesulfonate 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: 64.0%

octanol (111-87-5) + methanesulfonyl chloride (124-63-0) + 3-Phenylpropionic acid (501-52-0) → n-octyl methanesulfonate (16156-52-8) + 1-octyl 3-phenylpropanoate (37826-57-6)

Guidance literature:

octanol; methanesulfonyl chloride; 3-Phenylpropionic acid; With trimethylamine hydrochloride; triethylamine; In acetonitrile; at -10 ℃; for 0.5h;

With dmap; trimethylamine hydrochloride; triethylamine; In acetonitrile; at -10 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00734-8

Reference yield: 100.0%

n-octyl methanesulfonate (16156-52-8) + S,S-dimethyl dithiocarbonate (868-84-8) → methyl octyl sulfide (3698-95-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; for 0.25h; Heating;

DOI:10.1055/s-1983-30450

Reference yield: 92.0%

n-octyl methanesulfonate (16156-52-8) + sodium 4-nitrobenzoate (3847-57-2) → n-octyl p-nitrobenzoate (6500-50-1)

Guidance literature:

With sodium hydroxide; tetrahexylammonium chloride; In water; benzene; at 60 ℃; for 24h;

upstream raw materials:

octanol

methanesulfonyl chloride

3-Phenylpropionic acid

Downstream raw materials:

octyl hydroperoxide

nonanonitrile

methyl octyl sulfide

ethyl octyl ether

Refernces