Permethylsorbitol

Base Information

• Chemical Name: Permethylsorbitol
• CAS No.: 20746-36-5
• Molecular Formula: C12H26O6
• Molecular Weight: 266.3312
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID30174824
• Nikkaji Number: J488.794H
• Wikidata: Q83044982
• Mol file: 20746-36-5.mol

Synonyms:permethylsorbitol;permethylsorbitol, 1-(13)C-labeled cpd;permethylsorbitol, 2-(18)O-labeled cpd;permethylsorbitol, 6-(18)O-labeled cpd

Chemical Property of Permethylsorbitol

Chemical Property:

• Vapor Pressure: 0.00274mmHg at 25°C
• Boiling Point: 295.1°Cat760mmHg
• Flash Point: 107.5°C
• PSA: 55.38000
• Density: 1g/cm³
• LogP: 0.33920
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 266.17293854
• Heavy Atom Count: 18
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(C(C(COC)OC)OC)OC)OC
• Isomeric SMILES: COC[C@H]([C@H]([C@@H]([C@H](COC)OC)OC)OC)OC

Technology Process of Permethylsorbitol

There total 4 articles about Permethylsorbitol 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:

D-sorbitol (50-70-4) + dimethyl sulfate (77-78-1) → 1,2,3,4,5,6-hex-O-methyl-D-glucitol (20746-36-5)

Guidance literature:

With tetrachloromethane; sodium hydroxide; at 50 - 55 ℃;

DOI:10.1021/ja01860a032

Reference yield:

2,3,4,6-tetra-O-methyl-D-sorbitol (4207-99-2,20227-21-8,20316-58-9,36725-77-6,87422-26-2) + dimethyl sulfate (77-78-1) → 1,2,3,4,5,6-hex-O-methyl-D-glucitol (20746-36-5)

Guidance literature:

With tetrachloromethane; sodium hydroxide; at 50 - 55 ℃;

DOI:10.1021/ja01860a032

Reference yield:

methanol (67-56-1) + (2S,3S,4R,5R,6R)-3,4,5-Trimethoxy-2-methyl-6-((2R,3R,4R,5S)-2,3,4,5,6-pentamethoxy-hexyloxy)-tetrahydro-pyran → 1,2,3,4,5,6-hex-O-methyl-D-glucitol (20746-36-5) + methyl-2,3,4-tri-O-methyl-L-rhamnopyranoside (14200-00-1)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1248/cpb.28.3473

upstream raw materials:

D-sorbitol

dimethyl sulfate

2,3,4,6-tetra-O-methyl-D-sorbitol

methanol