1,1-Dimethoxyoctan-2-one

Base Information

• Chemical Name: 1,1-Dimethoxyoctan-2-one
• CAS No.: 6956-55-4
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• NSC Number: 65052
• DSSTox Substance ID: DTXSID40289872
• Nikkaji Number: J408.466G
• Wikidata: Q82027385

Synonyms:1,1-dimethoxyoctan-2-one;6956-55-4;NSC65052;DTXSID40289872;NSC-65052;AKOS018048301

Chemical Property of 1,1-Dimethoxyoctan-2-one

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Boiling Point: 256.8°Cat760mmHg
• Flash Point: 99.7°C
• Density: 0.923g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)C(OC)OC

Technology Process of 1,1-Dimethoxyoctan-2-one

There total 2 articles about 1,1-Dimethoxyoctan-2-one 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:

methanol (67-56-1) + n-octyne (629-05-0) → methyl heptanoate (106-73-0) + 1,1-dimethoxy-octan-2-one (6956-55-4) + 1,1,2,2-tetramethoxyoctane (134030-86-7) + 1,1-dimethoxy-3-(phenylseleno)-2-octanone (134030-85-6)

Guidance literature:

With ammonium persulfate; diphenyl diselenide; for 2h; Yields of byproduct given; Heating;

DOI:10.1021/jo00014a038

Reference yield:

methanol (67-56-1) + n-octyne (629-05-0) + diphenyl diselenide (1666-13-3) → methyl heptanoate (106-73-0) + 1,1-dimethoxy-octan-2-one (6956-55-4) + 1,1,2,2-tetramethoxyoctane (134030-86-7) + 1,1-dimethoxy-3-(phenylseleno)-2-octanone (134030-85-6)

Guidance literature:

With ammonium persulfate; for 2h; Yield given; Heating;

DOI:10.1021/jo00014a038

upstream raw materials:

methanol

n-octyne

diphenyl diselenide

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