4-Octylbenzenesulfonic acid sodium salt, 97%

Base Information

• Chemical Name: 4-Octylbenzenesulfonic acid sodium salt, 97%
• CAS No.: 6149-03-7
• Molecular Formula: C14H22 O3 S . Na
• Molecular Weight: 292.375
• Hs Code.: 2904100000
• Mol file: 6149-03-7.mol

Synonyms:SCHEMBL2457844;CS-0206149;4-Octylbenzenesulfonic acid sodium salt, 97%

Chemical Property of 4-Octylbenzenesulfonic acid sodium salt, 97%

Chemical Property:

• Melting Point: >300°C
• PSA: 65.58000
• LogP: 4.57450
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 293.11873502
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

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

Sodium 4-n-Octylbenzenesulfonate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Na]
• Uses: 4-Octylbenzenesulfonic Acid Sodium Salt can be used as a disinfectant with high antibacterial activity and stability.

Technology Process of 4-Octylbenzenesulfonic acid sodium salt, 97%

There total 2 articles about 4-Octylbenzenesulfonic acid sodium salt, 97% 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:

Octylbenzene (2189-60-8) → sodium p-(n-octyl)benzene sulphonate (6149-03-7)

Guidance literature:

With sodium hydroxide; sulfuric acid; at 55 ℃; for 1.5h;

DOI:10.1021/j100206a045

Reference yield:

Octylbenzene (2189-60-8) → sodium p-(n-octyl)benzene sulphonate (6149-03-7) + ortho sodium octylbenzenesulfonate

Guidance literature:

With chlorosulfonic acid; sodium hydroxide; Multistep reaction;

DOI:10.1021/j100455a015

Reference yield: 91.4%

sodium p-(n-octyl)benzene sulphonate (6149-03-7) → 4-octylbenzene-1-sulfonyl chloride (54997-91-0)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d1gc00742d

upstream raw materials:

Octylbenzene

Downstream raw materials:

4-octylbenzene-1-sulfonyl chloride