68113-55-3

Basic information

• Product Name: 1-hydroxy-4-methylpentan-2-one
• Synonyms: 1-Hydroxy-4-methyl-2-pentanone; 1-Hydroxy-4-methylpentan-2-one; 2-pentanone, 1-hydroxy-4-methyl-; Q1V1Y1& 1
• CAS NO: 68113-55-3
• Molecular Formula: C₆H₁₂O₂
• Molecular Weight: 116.1583
• Mol File: 68113-55-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 163.5°C at 760 mmHg
• Flash Point: 59.3°C
• Density: 0.947g/cm³
• Vapor Pressure: 0.701mmHg at 25°C
• Refractive Index: 1.425
• CAS DataBase Reference: 1-hydroxy-4-methylpentan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-hydroxy-4-methylpentan-2-one(68113-55-3)
• EPA Substance Registry System: 1-hydroxy-4-methylpentan-2-one(68113-55-3)

Safety Data

• Hazardous Substances Data: 68113-55-3(Hazardous Substances Data)

Usage

General Description

1-Hydroxy-4-methylpentan-2-one is a chemical compound with the molecular formula C6H12O2. It is a colorless liquid with a fruity odor and is commonly used as a flavoring agent in food and beverage products. It is also known by the trade name "methylamylketone" or "MIBK" and is used as a solvent in various industrial applications. 1-hydroxy-4-methylpentan-2-one can be produced through the oxidation of 4-methyl-2-pentanol or the rearrangement of 2-hexanone. It is important to handle 1-hydroxy-4-methylpentan-2-one with care, as it can irritate the skin and eyes and can be harmful if ingested or inhaled in large quantities.

Upstream product

• 20609-35-2 1-diazo-4-methylpentan-2-one 
• 4113-63-7 1-chloro-4-methylpentan-2-one 
• 691-37-2 4-Methyl-1-pentene 
• 108-12-3 isopentanoyl chloride 
• 68113-54-2 1-(acetyloxy)-4-methyl-2-pentanone 
• 32781-28-5 cyclohexyl-(1,3-dimethyl-butylidene)-amine 

Downstream Products

• 7533-40-6 (S)-2-amino-4-methylpentan-1-ol 
• 87760-51-8 4-methyl-1,2-pentanediol 
• 86921-40-6 1-Allyl-4-isobutylimidazole 
• 86921-38-2 1-<(p-Benzyloxy)phenethyl>-2-methyl-4-isobutylimidazole 
• 80524-75-0 4-methyl-1-(2,4,6-trimethylbenzenesulfonyloxy)-2-pentanone 
• 4113-63-7 1-chloro-4-methylpentan-2-one 
• 86921-39-3 1-Allyl-2-methyl-4-isobutylimidazole 

Relevant articles and documents

Modular synthesis of dihydroxyacetone monoalkyl ethers and isosteric 1-hydroxy-2-alkanones

Straightforward methods for the efficient, systematic preparation of libraries of the title compound classes have been evaluated. A general and efficient modular route to dihydroxyacetone monoethers was developed based on trityl glycidol, which, through epoxide opening, oxidation, and deprotection, provided variously alkylated ethers by three routine operations in good overall yields (eight examples, 24-59 %). The preparation of structurally related 1-hydroxyalkanones depends on the availability of the most economic starting materials and on their physicochemical properties. Thus, the most practical one-step approaches consisted of the sec-selective oxidation of short-chain 1,2-diols (≤ C6) using NaOCl, and the direct ketohydroxylation of 1-alkenes (≥ C6) using buffered stoichiometric KMnO4 or catalytic RuO4 with reoxidation by oxone, for which mostly good overall yields were achieved on a multigram scale (nine examples, 15-78 %).