4388-87-8

Basic information

• Product Name: 2,5-DIMETHYL-3,4-HEXANEDIONE
• Synonyms: 2,5-DIMETHYL-3,4-HEXANEDIONE;Biisobutyryl;2,5-dimethylhexane-3,4-dione;3,4-Hexanedione, 2,5-diMethyl-
• CAS NO: 4388-87-8
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.2
• Mol File: 4388-87-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 14.93°C (estimate)
• Boiling Point: 144.55°C
• Flash Point: 50.5°C
• Appearance: /
• Density: 0.9232
• Vapor Pressure: 5.08mmHg at 25°C
• Refractive Index: 1.4206
• CAS DataBase Reference: 2,5-DIMETHYL-3,4-HEXANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-3,4-HEXANEDIONE(4388-87-8)
• EPA Substance Registry System: 2,5-DIMETHYL-3,4-HEXANEDIONE(4388-87-8)

Safety Data

• Hazardous Substances Data: 4388-87-8(Hazardous Substances Data)

Usage

Physical state

Yellowish-green liquid

Odor

Pungent

Type of compound

Beta-diketone (contains two adjacent carbonyl groups)

Usage

Solvent, reagent in chemical synthesis (production of metal chelates), precursor in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals

Application in coordination chemistry

Forms stable complexes with various metals (e.g. copper, zinc, nickel)

Safety precautions

Handle and store with proper safety measures due to reactivity and potential health hazards.

InChI:InChI=1/C8H14O2/c1-5(2)7(9)8(10)6(3)4/h5-6H,1-4H3

Upstream product

• 78-84-2 isobutyraldehyde 
• 108-24-7 acetic anhydride 

Downstream Products

• 142024-96-2 4-hydroxy-2,5-dimethyl-4-phenylhexan-3-one 
• 5438-17-5 2-hydroxy-2-isopropyl-3-methyl-butyric acid 
• 79-31-2 isobutyric Acid 
• 144345-74-4 (+)-(2R,3R,5S,6S)-5,6-bis(2-methylethyl)-2,3-diphenylpiperazine 
• 1026247-79-9 1-((2S,3S,5R,6R)-4-Acetyl-2,3-diisopropyl-5,6-diphenyl-piperazin-1-yl)-ethanone 
• 924-50-5 Methyl 3,3-dimethylacrylate 
• 815-77-0 isobutyroin 
• 1888-57-9 2,5-dimethylhexan-3-one 
• 77611-56-4 2,3-diisopropylquinoxaline 
• 3810-29-5 2,4-diamino-6,7-diisopropylpteridine 

Relevant articles and documents

Cobalt(II)-Catalyzed Reaction of Aldehydes with Acetic Anhydride under an Oxygen Atmosphere: Scope and Mechanism

The reaction of aldehydes with acetic anhydride in the presence of catalytic cobalt(II) chloride under an oxygen atmosphere at ambient temperature is dependent upon the reaction medium.Aliphatic aldehydes react in acetonitrile to give 1,2-diones whereas the aromatic aldehydes are acylated to yield the corresponding acylals.On the other hand, carboxylic acids are obtained from aliphatic and aromatic aldehydes by conducting the reaction in dichloroethane or benzene.Cobalt(II) chloride in acetonitrile catalyzes the conversion of aliphatic aldehydes to the correspondinganhydrides in the absence of acetic anhydride whereas aromatic aldehydes remain largely unaffected under these conditions.A preliminary mechanistic study in three different solvents (i.e. acetonitrile, dichloroethane, and DMF) has revealed that in acetonitrile and in the presence of acetic anhydride, aliphatic aldehydes behave differently than aromatic aldehydes.Some trapping experiments using methyl acrylate and stilbene have been conducted to demonstrate the occurence of an acyl cobalt and peroxyacyl cobalt intermediate during these reactions.