Octadecyl methanesulfonate

Base Information

• Chemical Name: Octadecyl methanesulfonate
• CAS No.: 31081-59-1
• Molecular Formula: C19H40 O3 S
• Molecular Weight: 348.591
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID20953180
• Wikidata: Q82931958
• Mol file: 31081-59-1.mol

Synonyms:octadecyl methanesulfonate;31081-59-1;Methanesulfonic acid, octadecyl ester;n-octadecyl methane sulfonate;SCHEMBL1043221;DTXSID20953180;KNPLQZXBTKKRAJ-UHFFFAOYSA-N;methanesulfonic acid octadecyl ester;5Z-0614

Chemical Property of Octadecyl methanesulfonate

Chemical Property:

• Vapor Pressure: 5.26E-08mmHg at 25°C
• Boiling Point: 454.1°C at 760 mmHg
• Flash Point: 228.5°C
• PSA: 51.75000
• Density: 0.943g/cm³
• LogP: 7.30490
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 348.26981631
• Heavy Atom Count: 23
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

OCTADECYL METHANE SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Octadecyl methanesulfonate

There total 4 articles about Octadecyl 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: 97.7%

1-octadecanol (112-92-5) + methanesulfonyl chloride (124-63-0) → 1-octadecyl methanesulfonate (31081-59-1)

Guidance literature:

1-octadecanol; With triethylamine; In dichloromethane; for 0.5h; Inert atmosphere; Cooling with ice;

methanesulfonyl chloride; In dichloromethane; for 24h; Inert atmosphere; Cooling with ice;

DOI:10.1021/acs.molpharmaceut.7b00624

Reference yield: 91.0%

→ 1-octadecyl methanesulfonate (31081-59-1)

Guidance literature:

Reference yield:

1-octadecanol (112-92-5) + methanesulfochloride → 1-octadecyl methanesulfonate (31081-59-1)

Guidance literature:

With triethylamine; In ethanol; dichloromethane; water;

upstream raw materials:

1-octadecanol

methanesulfonyl chloride

nonadecanoic acid methyl ester

Downstream raw materials:

batyl alcohol

4-(n-octadecyloxymethyl)-2,2-dimethyl-1,3-dioxolane

(2S,4S)-4-Octadecyloxymethyl-2-phenyl-[1,3]dioxane

N-(7-Oxapentacosyl)phthalimide

Refernces

• 1、 Cegla,Mangold. "". . p. 354. Retrieved 1973.
• 2、 Fernández Montoya, Deicy J.,Contreras Jordan, Luis A.,Moreno-Murillo, Bárbara,Silva-Gómez, Edelberto,Mayorga-Wandurraga, Humberto. "Enantiomeric synthesis of natural alkylglycerols and their antibacterial and antibiofilm activities". supporting information. p. 2544 - 2550. Retrieved 2019/11/13.
• 3、 Tucker, William B.,McCoy, Aaron M.,Fix, Samantha M.,Stagg, Melissa F.,Murphy, Matt M.,Mecozzi, Sandro. "Synthesis, Physicochemical Characterization, and Self-Assembly of Linear, Dibranched, and Miktoarm Semifluorinated Triphilic Polymers". . p. 3324 - 3336. Retrieved 2015/02/05.