7-Methyloctan-3-one

Base Information

• Chemical Name: 7-Methyloctan-3-one
• CAS No.: 5408-57-1
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2914190090
• European Community (EC) Number: 875-270-3
• NSC Number: 8342
• DSSTox Substance ID: DTXSID30278593
• Wikidata: Q82010587
• Metabolomics Workbench ID: 5513
• Mol file: 5408-57-1.mol

Synonyms:7-methyloctan-3-one;5408-57-1;7-methyl-3-octanone;NSC8342;SCHEMBL128911;DTXSID30278593;CHEBI:179612;NSC 8342;NSC-8342;LMFA12000130;AKOS009389690;CS-0238563;EN300-197533

Chemical Property of 7-Methyloctan-3-one

Chemical Property:

• Vapor Pressure: 0.913mmHg at 25°C
• Melting Point: -18.52°C (estimate)
• Refractive Index: 1.4202 (estimate)
• Boiling Point: 180°Cat760mmHg
• Flash Point: 57.6°C
• PSA: 17.07000
• Density: 0.814g/cm³
• LogP: 2.79180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 94.9

Purity/Quality:

7-methyloctan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)CCCC(C)C

Technology Process of 7-Methyloctan-3-one

There total 5 articles about 7-Methyloctan-3-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:

5-methylhexanoic acid (628-46-6) → 7-methyl-3-octanone (5408-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus trichloride

With phosphorus trichloride;

Reference yield:

4-Methyl-1-pentene (691-37-2,25068-26-2) + propionaldehyde (123-38-6) → 7-methyl-3-octanone (5408-57-1)

Guidance literature:

at 27 ℃; for 22h; (γ-irradiation);

Reference yield:

5-methylhexanoyl chloride (5699-78-5) + diethylcadmium (592-02-9) → 7-methyl-3-octanone (5408-57-1)

Guidance literature:

DOI:10.1021/jo01029a022

upstream raw materials:

5-methylhexanoyl chloride

diethylzinc

diethylcadmium

4-Methyl-1-pentene

Downstream raw materials:

1,1-dinitroethane