600-38-4

Basic information

• Product Name: 2,4-Pentanedione, 3-hydroxy- (6CI,8CI,9CI)
• Synonyms: 2,4-Pentanedione, 3-hydroxy- (6CI,8CI,9CI)
• CAS NO: 600-38-4
• Molecular Formula: C5H8O3
• Molecular Weight: 116.11522
• Product Categories: ACETYLGROUP
• Mol File: 600-38-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 62-63 °C(Press: 8 Torr)
• Appearance: /
• Density: 1.125±0.06 g/cm3(Predicted)
• PKA: 11.11±0.20(Predicted)
• CAS DataBase Reference: 2,4-Pentanedione, 3-hydroxy- (6CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Pentanedione, 3-hydroxy- (6CI,8CI,9CI)(600-38-4)
• EPA Substance Registry System: 2,4-Pentanedione, 3-hydroxy- (6CI,8CI,9CI)(600-38-4)

Safety Data

• Hazardous Substances Data: 600-38-4(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Sweet, pleasant

Common uses

Flavoring agent in food and beverages, fragrance ingredient in cosmetics and personal care products

Byproduct

In the production of certain synthetic flavorings

Health effects

Potential respiratory irritant

Antimicrobial properties

Antibacterial and antifungal

Further research

Necessary to determine potential health effects and safety for human use

Upstream product

• 64-18-6 formic acid 
• 141-53-7 sodium formate 
• 1694-29-7 3-chloropentane-2,4-dione 
• 431-03-8 dimethylglyoxal 
• 123-54-6 acetylacetone 
• 66694-92-6 3-hydroxy-4,4-dimethoxy-pentan-2-one 
• 66694-90-4 2,4,4-trimethoxy-pent-1-en-3-ol 
• 66694-89-1 3-chloro-4,4-dimethoxy-pentan-2-one 
• 66694-88-0 (Z)-3-chloro-4-methoxy-pent-3-en-2-one 
• 64-17-5 ethanol 
• 76355-43-6 4-<1-(1,2,3-triazolo<4,5-a>phenazinyl)>-3,4-epoxypentan-2-one 
• 66694-96-0 4-methoxy-pentane-2,3-dione 

Downstream Products

• 101596-39-8 3-hydroxy-pentane-2,4-dione-bis-(2,4-dinitro-phenylhydrazone) 

Relevant articles and documents

Enzymatic Chemoselective Aldehyde-Ketone Cross-Couplings through the Polarity Reversal of Methylacetoin

Abstract The thiamine diphosphate (ThDP) dependent enzyme acetoin:dichlorophenolindophenol oxidoreductase (Ao:DCPIP OR) from Bacillus licheniformis was cloned and overexpressed in Escherichia coli. The recombinant enzyme shared close similarities with the acetylacetoin synthase (AAS) partially purified from Bacillus licheniformis suggesting that they could be the same enzyme. The product scope of the recombinant Ao:DCPIP OR was expanded to chiral tertiary α-hydroxy ketones through the rare aldehyde-ketone cross-carboligation reaction. Unprecedented is the use of methylacetoin as the acetyl anion donor in combination with a range of strongly to weakly activated ketones. In some cases, Ao:DCPIP OR produced the desired tertiary alcohols with stereochemistry opposite to that obtained with other ThDP-dependent enzymes.