3-Sulfopropanediol

Base Information

• Chemical Name: 3-Sulfopropanediol
• CAS No.: 10296-76-1
• Molecular Formula: C3H8 O5 S
• Molecular Weight: 156.16
• Hs Code.: 2905590090
• European Community (EC) Number: 233-668-9
• DSSTox Substance ID: DTXSID80867456
• Nikkaji Number: J236.751C
• Wikidata: Q27146850
• Mol file: 10296-76-1.mol

Synonyms:3-sulfo-1,2-propanediol;3-sulfopropanediol;3-sulfopropanediol, monosodium salt(+-)-isomer

Chemical Property of 3-Sulfopropanediol

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.31±0.50(Predicted)
• Flash Point: °C
• PSA: 103.21000
• Density: 1.697g/cm³
• LogP: -0.69180
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.00924453
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

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

Sulfopropanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CS(=O)(=O)O)O)O
• Uses: Sulfopropanediol can be used as anticorrosive coating based on polyaniline composite microcapsules.

Technology Process of 3-Sulfopropanediol

There total 7 articles about 3-Sulfopropanediol 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:

sodium 3-chloro-2-hydroxypropane-sulfonate (126-83-0) → 2,3-dihydroxypropane-1-sulfonic acid (10296-76-1)

Guidance literature:

With water; sodium carbonate; at 85 ℃; for 5h; Temperature; Flow reactor;

Reference yield:

oxiranyl-methanol (556-52-5) → 2,3-dihydroxypropane-1-sulfonic acid (10296-76-1)

Guidance literature:

oxiranyl-methanol; With sodium sulfite; In water; for 24h; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.9b00055

Reference yield:

→ 2,3-dihydroxypropane-1-sulfonic acid (10296-76-1)

Guidance literature:

With nitric acid;

upstream raw materials:

allyl alcohol

3-monochloro-1,2-propanediol

3-[5-deoxy-5-(dimethylarsinoyl)-β-D-ribofuranosyloxy]-2-hydroxypropene-1-sulphonic acid

sulfuric acid

Refernces

• 1、 -. "Preparation method and application of organic sulfonic acid". Paragraph 0063-0074; 0099-0102. . Retrieved 2021/11/21.