4-Decylbenzenesulfonic acid

Base Information

• Chemical Name: 4-Decylbenzenesulfonic acid
• CAS No.: 140-60-3
• Molecular Formula: C16H26 O3 S
• Molecular Weight: 298.447
• Hs Code.: 2904100000
• European Community (EC) Number: 205-422-0
• UNII: 3A46YTI174
• DSSTox Substance ID: DTXSID7059696
• Nikkaji Number: J181.006E
• Wikidata: Q27256950
• Mol file: 140-60-3.mol

Synonyms:4-DECYLBENZENESULFONIC ACID;p-Decylbenzenesulfonic acid;140-60-3;p-Decylbenzenesulphonic acid;Benzenesulfonic acid, 4-decyl-;p-N-Decylbenzenesulfonate;Benzenesulfonic acid, p-decyl-;UNII-3A46YTI174;HSDB 5631;3A46YTI174;EINECS 205-422-0;SCHEMBL1301381;DTXSID7059696;C16H26O3S;4-DECYLBENZENESULFONIC ACID [HSDB];Q27256950

Chemical Property of 4-Decylbenzenesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.077g/cm³
• LogP: 5.69730
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 298.16026586
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: CCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

Technology Process of 4-Decylbenzenesulfonic acid

There total 4 articles about 4-Decylbenzenesulfonic acid 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:

decylbenzene (104-72-3) → 4-decylbenzenesulfonic acid (140-60-3)

Guidance literature:

With sulfuric acid; sulfur trioxide;

DOI:10.1021/jo01060a050

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 4-decylbenzenesulfonic acid (140-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Na

2: SO₃/H₂SO₄

With sulfuric acid; sulfur trioxide; sodium;

Reference yield:

1-bromo dodecane (112-29-8) → 4-decylbenzenesulfonic acid (140-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Na

2: SO₃/H₂SO₄

With sulfuric acid; sulfur trioxide; sodium;

upstream raw materials:

decylbenzene

bromobenzene

1-bromo dodecane