Decyl benzenesulfonate

Base Information

• Chemical Name: Decyl benzenesulfonate
• CAS No.: 41233-31-2
• Molecular Formula: C16H26 O3 S
• Molecular Weight: 298.447
• DSSTox Substance ID: DTXSID80194158
• Nikkaji Number: J564.318J
• Wikidata: Q83066914
• Mol file: 41233-31-2.mol

Synonyms:decyl benzenesulfonate;Benzenesulfonic acid, decyl este;41233-31-2;decyl-benzene sulfonate;SCHEMBL160139;Benzenesulfonic acid decyl ester;DTXSID80194158

Chemical Property of Decyl benzenesulfonate

Chemical Property:

• Vapor Pressure: 2.78E-06mmHg at 25°C
• Boiling Point: 401.2°Cat760mmHg
• Flash Point: 196.5°C
• Density: 1.043g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 298.16026586
• Heavy Atom Count: 20
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1

Technology Process of Decyl benzenesulfonate

There total 1 articles about Decyl benzenesulfonate 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:

→ decyl benzenesulfonate (41233-31-2)

Guidance literature:

1 Mol Benzolsulfonsaeure-chlorid, 0.9 Mol Decylalkohol <1.12 Mol 40percentig. NaOH bei 40grad>;

Reference yield: 72.0%

decyl benzenesulfonate (41233-31-2) + acetonitrile (75-05-8,26809-02-9) → undecyl cyanide (2437-25-4)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

decyl benzenesulfonate; In tetrahydrofuran; hexane; at 0 ℃; for 0.583333h;

DOI:10.1021/jo971198h

Downstream raw materials:

undecyl cyanide

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