2-Sulphopalmitic acid

Base Information

• Chemical Name: 2-Sulphopalmitic acid
• CAS No.: 1782-10-1
• Molecular Formula: C16H32 O5 S
• Molecular Weight: 336.493
• Hs Code.: 2915900090
• European Community (EC) Number: 217-230-4
• NSC Number: 5111
• DSSTox Substance ID: DTXSID001313404
• Nikkaji Number: J203.178G
• Mol file: 1782-10-1.mol

Synonyms:2-Sulfohexadecanoic acid;2-Sulphopalmitic acid;1782-10-1;Hexadecanoic acid, 2-sulfo-;NSC5111;NSC 5111;EINECS 217-230-4;2-sulfopalmitic acid;a-sulfopalmitic acid;WLN: WSQYVQ14;SCHEMBL1157909;C16H32O5S;DTXSID001313404;NSC-5111;C16-H32-O5-S

Chemical Property of 2-Sulphopalmitic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.05000
• Density: 1.098g/cm³
• LogP: 5.49940
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 336.19704529
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O

Technology Process of 2-Sulphopalmitic acid

There total 6 articles about 2-Sulphopalmitic 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-mercaptohexadecanoic acid (69839-74-3) → 2-sulfo-hexadecanoic acid (1782-10-1)

Guidance literature:

With potassium permanganate; acetone;

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → 2-sulfo-hexadecanoic acid (1782-10-1)

Guidance literature:

With 1,1,2,2-tetrachloroethylene; sulfur trioxide;

DOI:10.1021/ja01115a528

Reference yield:

1,1,2,2-tetrachloroethylene (127-18-4) + 1-hexadecylcarboxylic acid (57-10-3) → 2-sulfo-hexadecanoic acid (1782-10-1)

Guidance literature:

DOI:10.1021/ja01106a528

upstream raw materials:

2-mercaptohexadecanoic acid

1-hexadecylcarboxylic acid

1,1,2,2-tetrachloroethylene

acetone

Downstream raw materials:

1-methoxycarbonyl-pentadecane-1-sulfonic acid