1-Pentadecanesulfonic acid

Base Information

• Chemical Name: 1-Pentadecanesulfonic acid
• CAS No.: 31169-63-8
• Molecular Formula: C15H32 O3 S
• Molecular Weight: 292.483
• Hs Code.: 2904100000
• European Community (EC) Number: 250-501-5
• UNII: X458EF24JW
• DSSTox Substance ID: DTXSID1067598
• Nikkaji Number: J278.062C
• Wikidata: Q81994214
• Mol file: 31169-63-8.mol

Synonyms:1-Pentadecanesulfonic acid;31169-63-8;pentadecane-1-sulfonic acid;Pentadecane-1-sulphonic acid;X458EF24JW;EINECS 250-501-5;UNII-X458EF24JW;SCHEMBL150843;DTXSID1067598

Chemical Property of 1-Pentadecanesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.84±0.50(Predicted)
• Flash Point: °C
• PSA: 62.75000
• Density: 0.992g/cm³
• LogP: 6.04620
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 292.20721605
• Heavy Atom Count: 19
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCS(=O)(=O)O

Technology Process of 1-Pentadecanesulfonic acid

There total 2 articles about 1-Pentadecanesulfonic 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:

2-sulfo-hexadecanoic acid ; disodium-salt (5896-55-9,10538-20-2,14888-96-1) → pentadecane-1-sulfonic acid (31169-63-8)

Guidance literature:

With sodium hydroxide; at 300 - 320 ℃;

DOI:10.1021/jo01055a527

Reference yield:

sulfuric acid mono-(1-propyl-dodecyl ester) (45243-42-3) → pentadecane-1-sulfonic acid (31169-63-8)

Guidance literature:

With sodium dihydrogenphosphate; water; aniline; sodium sulfite; at 130 - 140 ℃; entsteht das Natriumsalz;

upstream raw materials:

sulfuric acid mono-(1-propyl-dodecyl ester)

2-sulfo-hexadecanoic acid ; disodium-salt