6-Methylheptan-3-one

Base Information

• Chemical Name: 6-Methylheptan-3-one
• CAS No.: 624-42-0
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2914190090
• European Community (EC) Number: 210-844-3
• UNII: AOG1YZD9QO
• DSSTox Substance ID: DTXSID20211454
• Nikkaji Number: J100.626F
• Wikidata: Q63392282
• Metabolomics Workbench ID: 5448
• Mol file: 624-42-0.mol

Synonyms:2-Methyl-5-heptanone;6-Methylheptan-3-one;624-42-0;Ethyl isoamyl ketone;6-Methyl-3-heptanone;3-Heptanone, 6-methyl-;ETHYL ISO-AMYL KETONE;6-methylheptane-3-one;AOG1YZD9QO;UNII-AOG1YZD9QO;HSDB 2841;EINECS 210-844-3;ethylisoamyl ketone;6-methyl-heptan-3-one;3-heptanona, 6-metil-;SCHEMBL108580;DTXSID20211454;LMFA12000042;6-METHYL-3-HEPTANONE [HSDB];FT-0632627;EN300-7033298;Q63392282

Chemical Property of 6-Methylheptan-3-one

Chemical Property:

• Vapor Pressure: 2.44mmHg at 25°C
• Melting Point: -32.24°C (estimate)
• Refractive Index: 1.4165 (estimate)
• Boiling Point: 159.9°C at 760 mmHg
• Flash Point: 44.6°C
• PSA: 17.07000
• Density: 0.811g/cm³
• LogP: 2.40170
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-5-heptanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCC(=O)CCC(C)C

Technology Process of 6-Methylheptan-3-one

There total 19 articles about 6-Methylheptan-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: 78.0%

6-methylhept-1-en-3-ol (101342-75-0) → 6-methyl-3-heptanone (624-42-0)

Guidance literature:

With carbon monoxide; cobalt(II) bromide; zinc; In toluene; tert-butyl alcohol; at 25 - 110 ℃; for 16h;

Reference yield:

methanol (67-56-1) + 5-Methyl-2-hexanone (110-12-3) → 6-methyl-3-heptanone (624-42-0) + 4,6-dimethyl-heptan-3-one (40239-30-3) + 2,4,6-trimethyl-heptan-3-one (40239-58-5)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 15h; Sealed tube; Autoclave; Inert atmosphere;

DOI:10.1021/acscatal.7b04442

Reference yield:

6-methyl-hept-4-en-3-one (3132-12-5) → 6-methyl-3-heptanone (624-42-0)

Guidance literature:

With ethanol; platinum barium sulfate; Hydrogenation_.unter Druck;

upstream raw materials:

N,N-dimethyl-propanamide

isoamyl lithium

6-methyl-hept-4-en-3-one

4-methylvaleroyl chloride

Downstream raw materials:

6-methyl-heptane-2,3-dione

1,1-dinitroethane

(E)-6-Methylhept-3-ene

(Z,E)-6-methylhept-3-ene

Refernces

• 1、 Rajesh,Periasamy. "New methods of hydroformylation of olefins and isomerisation of allyl alcohols using the CoBr2/Zn/CO/t-BuOH reagent system". . p. 989 - 993. Retrieved 2007/10/03.
• 2、 Broekhof, N. L. J. M.,Elburg, P. van,Hoff, D. J.,Gen, A. van der. "Enamine synthesis using the Horner-Wittig reaction. Part 2. New acyl anion equivalents derived from (aminomethyl)diphenylphosphine oxides". . p. 317 - 321. Retrieved 2007/10/02.