1888-57-9

Basic information

• Product Name: 2,5-DIMETHYL-3-HEXANONE
• Synonyms: 2,5-DIMETHYL-3-HEXANONE;ISOBUTYL ISOPROPYL KETONE;2,5-dimethyl-hexan-3-one;3-Hexanone,2,5-dimethyl-;dimethylhexanone;2,5-DIMETHYL-3-HEXANONE 98+%
• CAS NO: 1888-57-9
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.21
• Mol File: 1888-57-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: -32.24°C (estimate)
• Boiling Point: 148 °C
• Flash Point: 34.2 °C
• Appearance: /
• Density: 0.81
• Refractive Index: 1.4050-1.4090
• Solubility: Chloroform, DCM
• CAS DataBase Reference: 2,5-DIMETHYL-3-HEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-3-HEXANONE(1888-57-9)
• EPA Substance Registry System: 2,5-DIMETHYL-3-HEXANONE(1888-57-9)

Safety Data

• RIDADR: 1224
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 1888-57-9(Hazardous Substances Data)

Usage

Description

2,5-DIMETHYL-3-HEXANONE, also known as Isobutyl Isopropyl Ketone, is a naturally occurring compound found in Cinnamomum iners leaves. It is a colorless or light yellow transparent liquid with unique chemical properties.

Uses

Used in Chemical Industry:
2,5-DIMETHYL-3-HEXANONE is used as a solvent for various applications, such as in the production of paints, coatings, and adhesives, due to its ability to dissolve a wide range of substances.
Used in Pharmaceutical Industry:
2,5-DIMETHYL-3-HEXANONE is used as a starting material in the synthesis of various pharmaceutical compounds, taking advantage of its unique chemical structure and reactivity.
Used in Flavor and Fragrance Industry:
2,5-DIMETHYL-3-HEXANONE is used as a component in the creation of artificial flavors and fragrances, leveraging its distinctive scent and stability.
Used in Research and Development:
2,5-DIMETHYL-3-HEXANONE is used in research and development settings for studying its cytotoxic activity and potential applications in various fields, such as medicine and materials science.

Upstream product

• 60-29-7 diethyl ether 
• 108-64-5 Ethyl isovalerate 
• 920-39-8 isopropylmagnesium bromide 
• 871877-18-8 2,5-dimethyl-hexane-2,3-diol 
• 19550-07-3 2,5-dimethyl-3-hexanol 
• 625-28-5 Isovaleronitrile 
• 1068-56-0 isopropylmagnesium iodide 
• 5674-02-2 2-methylpropylmagnesium chloride 
• 1619-62-1 2,2-dimethylmalonic acid diethyl ester 
• 926-62-5 isobutylmagnesium bromide 
• 79-30-1 isobutyryl chloride 
• 1854-19-9 diisobutylzinc 
• 556-24-1 methyl 3-methylbutanoate 
• 1068-55-9 isopropylmagnesium chloride 

Downstream Products

• 187737-37-7 propene 
• 94991-59-0 methyl 2-isopropyl-3-methylbutanoate 
• 71672-36-1 2,2,4-Trimethylpentansaeuremethylester 
• 115-11-7 isobutene 
• 66017-22-9 3-methoxy-2,5-dimethyl-hex-2-ene 
• 34557-54-5 methane 
• 74-85-1 ethene 
• 32118-53-9 2-isopropyl-3-methylbutanoic acid 

Relevant articles and documents

Musk or violet? Design, synthesis and odor of seco-derivates of a musky carotol lead

By a six-step synthetic route consisting of a Li2MnCl4-catalyzed coupling of branched alkyl magnesium chlorides with isovaleryl and 3,3-dimethylbutanoyl chloride, Grignard reaction of the product with ethynyl magnesium bromide, dehydration and transformation into a Grignard reagent, subsequent reaction with acetaldehyde, (E)-selective hydrogenation of the alkynol triple bond with lithium aluminum hydride, and finally pyridinium chlorochromate oxidation, four sterically highly demanding target structures were synthesized diastereoselectively. These four molecular targets were designed as seco-structures to a musky carotol lead, and their olfactory profiles that merge violet like with musky notes to different extents, provide interesting insight into structure-odor correlation.

Axially chiral thioamides of acrylic acid: Correlated and uncorrelated internal rotations

In acrylic thioamides (Scheme 1), two intramolecular motions are possible: thiocarbonyl-nitrogen (=C-N) and alkenyl-carbonyl (=C-C=) rotations. Since the two mobile molecular fragments can interact by steric and by resonance effects, we intended to demons

Zinc-promoted reactions. Part 5. The behaviour of alkyl substituted 1,3-diketones

The zinc-promoted reaction of 2,4-pentanedione and related β-dicarbonyl substrates have been investigated under a variety of conditions. The results were explained according to a general mechanism, involving ionic and nonionic pathways.