4,6-Dimethylheptan-2-one

Base Information

• Chemical Name: 4,6-Dimethylheptan-2-one
• CAS No.: 19549-80-5
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 2914190090
• European Community (EC) Number: 243-148-3
• DSSTox Substance ID: DTXSID2052784
• Nikkaji Number: J242.853I
• Mol file: 19549-80-5.mol

Synonyms:4,6-Dimethylheptan-2-one;19549-80-5;4,6-Dimethyl-2-heptanone;2-Heptanone, 4,6-dimethyl-;EINECS 243-148-3;4,6-Dimethyl-2-Heptanon;4,6-dimethylheptanone;SCHEMBL183207;DTXSID2052784;AKOS006275380;DS-6352;CS-0449098;FT-0688209;D95694;EN300-129689;W-110500

Chemical Property of 4,6-Dimethylheptan-2-one

Chemical Property:

• Appearance/Colour: clear to slight yellow Clear liquid
• Vapor Pressure: 1.48mmHg at 25°C
• Melting Point: -46oC
• Refractive Index: 1.413
• Boiling Point: 170.3 °C at 760 mmHg
• Flash Point: 44.7 °C
• PSA: 17.07000
• Density: 0.812 g/cm³
• LogP: 2.64770
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99%, ^*data from raw suppliers

4,6-Dimethylheptan-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Dimethylheptan-2-one

There total 14 articles about 4,6-Dimethylheptan-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:

acetone (67-64-1) → diisobutyl ketone (108-83-8) + 4,6-dimethylheptan-2-one (19549-80-5,531553-12-5) + 4-methyl-2-pentanone (108-10-1)

Guidance literature:

With water; hydrogen; zirconium phosphate/palladium; at 90 - 110 ℃; under 1035.1 - 4140.41 Torr; Product distribution / selectivity; Neat (no solvent);

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + acetone (67-64-1) → diisobutyl ketone (108-83-8) + 4,6-dimethylheptan-2-one (19549-80-5,531553-12-5) + 4-methyl-2-pentanone (108-10-1)

Guidance literature:

With water; hydrogen; zirconium oxide/copper/chromium; under 0 - 1807.68 Torr; Product distribution / selectivity; Neat (no solvent);

Reference yield:

acetone (67-64-1) → 2,6,8-trimethylnonan-4-one (123-18-2) + diisobutyl ketone (108-83-8) + 4,6-dimethylheptan-2-one (19549-80-5,531553-12-5) + 4-methyl-2-pentanone (108-10-1)

Guidance literature:

With hydrogen; In cyclohexane; at 120 ℃; for 24h; under 12751.3 Torr;

DOI:10.1002/cssc.201600936

upstream raw materials:

methyl magnesium iodide

3,5-dimethyl-hexanenitrile

2-bromo-4-methylpentane

sodium ethyl acetylacetate enolate

Downstream raw materials:

2,4,6,-trimethyldecane

2,4,6-trimethyl-tridecane

2,4,6-trimethyl-octadecane

2,4,6-trimethyl-nonane

Refernces

• 1、 -. "METHOD TO MAKE METHYL ISOBUTYL KETONE AND DIISOBUTYL KETONE". Page/Page column 9-10; 2/3. . Retrieved 2008/06/13.