3,4-Dimethylhexane-2,5-dione

Base Information

• Chemical Name: 3,4-Dimethylhexane-2,5-dione
• CAS No.: 25234-79-1
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• Hs Code.: 2914190090
• European Community (EC) Number: 246-746-2
• DSSTox Substance ID: DTXSID70948086
• Nikkaji Number: J149.738C
• Wikidata: Q26840809
• Mol file: 25234-79-1.mol

Synonyms:3,4-dimethyl-2,5-hexanedione

Chemical Property of 3,4-Dimethylhexane-2,5-dione

Chemical Property:

• Vapor Pressure: 0.166mmHg at 25°C
• Refractive Index: 1.4300 (estimate)
• Boiling Point: 213.2°C at 760 mmHg
• Flash Point: 76.4°C
• PSA: 34.14000
• Density: 0.913g/cm³
• LogP: 1.43660
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIMETHYL-HEXANE-2,5-DIONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(C)C(=O)C)C(=O)C

Technology Process of 3,4-Dimethylhexane-2,5-dione

There total 15 articles about 3,4-Dimethylhexane-2,5-dione 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: 68.0%

butanone (78-93-3) → 3,4-dimethyl-2,5-hexanedione (28895-02-5,28895-03-6,54381-97-4,112919-32-1,25234-79-1)

Guidance literature:

With hydrogen; mercury; at 30 ℃; for 18.5h; under 100 Torr; Irradiation;

Reference yield: 39.0%

2-methyl-3-oxo-butyric acid; monopotassium salt → 3,4-dimethyl-2,5-hexanedione (28895-02-5,28895-03-6,54381-97-4,112919-32-1,25234-79-1)

Guidance literature:

In 1,4-dioxane; water; anodic oxidation, 0,25 A/cm2, 2,2 V;

Reference yield:

ethanol (64-17-5) + butanone (78-93-3) → 3,4-dimethyl-2,5-hexanedione (28895-02-5,28895-03-6,54381-97-4,112919-32-1,25234-79-1) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

im Sonnenlicht;

upstream raw materials:

3-chloro-2-butanone

ethanol

butanone

di-tert-butyl peroxide

Downstream raw materials:

2,3,4,5-tetramethylpyrrole

(S,S)-2,3-dimethylsuccinic acid

meso 2,3-dimethylsuccinic acid

2,3,4-trimethylcyclopent-2-en-1-one

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