4-Methyl-5-decanone

Base Information

• Chemical Name: 4-Methyl-5-decanone
• CAS No.: 90207-25-3
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.295
• European Community (EC) Number: 685-007-2
• Mol file: 90207-25-3.mol

Synonyms:4-METHYL-5-DECANONE;4-methyldecan-5-one;SCHEMBL3414312;AKOS024333300

Chemical Property of 4-Methyl-5-decanone

Chemical Property:

• Melting Point: 8.52°C (estimate)
• Refractive Index: 1.4271 (estimate)
• Boiling Point: 224.96°C (estimate)
• Density: 0.8293 (estimate)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-5-DECANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=O)C(C)CCC

Technology Process of 4-Methyl-5-decanone

There total 2 articles about 4-Methyl-5-decanone 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: 73.0%

4-Methyl-5-decanol (213547-15-0) → 4-methyl-decan-5-one (90207-25-3)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In acetonitrile; for 0.333333h; Microwave irradiation;

DOI:10.1021/acs.jafc.1c01875

Reference yield:

2-methylvaleryl chloride (116908-84-0,5238-27-7) + dipentylcadmium (70083-43-1) → 4-methyl-decan-5-one (90207-25-3)

Guidance literature:

DOI:10.1021/jo01029a022

Reference yield:

4-methyl-decan-5-one (90207-25-3) → C11H24O + C11H24O

Guidance literature:

With lithium aluminium tetrahydride; Overall yield = 98.2 percent; diastereoselective reaction;

DOI:10.1021/acs.jafc.1c01875

upstream raw materials:

2-methylvaleryl chloride

dipentylcadmium

4-Methyl-5-decanol