Methyl n-hexylsulfonate

Base Information

• Chemical Name: Methyl n-hexylsulfonate
• CAS No.: 10307-26-3
• Molecular Formula: C₇H₁₆O₃S
• Molecular Weight: 180.268
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID40145626
• Wikidata: Q83010188
• Mol file: 10307-26-3.mol

Synonyms:methyl hexane sulfonate;methyl n-hexylsulfonate

Chemical Property of Methyl n-hexylsulfonate

Chemical Property:

• Vapor Pressure: 0.00756mmHg at 25°C
• Boiling Point: 277.6°Cat760mmHg
• Flash Point: 121.7°C
• PSA: 51.75000
• Density: 1.051g/cm³
• LogP: 2.62370
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 180.08201554
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCS(=O)(=O)OC

Technology Process of Methyl n-hexylsulfonate

There total 3 articles about Methyl n-hexylsulfonate 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:

methanol (67-56-1) + 1-hexanesulfonyl chloride (14532-24-2) → Hexan-1-sulfonsaeure-methylester (10307-26-3)

Guidance literature:

With triethylamine; In benzene;

DOI:10.1021/jo01288a013

Reference yield:

1-bromo-hexane (111-25-1) → Hexan-1-sulfonsaeure-methylester (10307-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂SO₃ / H₂O / Heating

With sodium sulfite; In water;

DOI:10.1016/0040-4020(78)80050-7

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + hexane-1-sulfonic acid (13595-73-8) → Hexan-1-sulfonsaeure-methylester (10307-26-3)

Guidance literature:

DOI:10.1016/0040-4020(78)80050-7

upstream raw materials:

diazomethane

hexane-1-sulfonic acid

methanol

1-hexanesulfonyl chloride