99595-53-6

Basic information

• Product Name: 2-Butanone, 4-mercapto-3-methyl- (6CI,9CI)
• Synonyms: 2-Butanone, 4-mercapto-3-methyl- (6CI,9CI)
• CAS NO: 99595-53-6
• Molecular Formula: C₅H₁₀OS
• Molecular Weight: 118.1973
• Product Categories: ACETYLGROUP
• Mol File: 99595-53-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Butanone, 4-mercapto-3-methyl- (6CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butanone, 4-mercapto-3-methyl- (6CI,9CI)(99595-53-6)
• EPA Substance Registry System: 2-Butanone, 4-mercapto-3-methyl- (6CI,9CI)(99595-53-6)

Safety Data

• Hazardous Substances Data: 99595-53-6(Hazardous Substances Data)

Upstream product

• 814-78-8 3-Methyl-3-buten-2-one 
• 112-55-0 1-dodecylthiol 
• 39925-74-1 3-(dodecylthiomethyl)-butanon-2 

Downstream Products

• 104742-84-9 4,5-dimethyl-2-phenyl-5,6-dihydro-2H-[1,3]thiazine 
• 75987-90-5 3,7-dimethyl-5-thia-nonane-2,8-dione-bis-(2,4-dinitro-phenylhydrazone) 
• 102760-72-5 3,8-dimethyl-5,6-dithia-decane-2,9-dione-bis-(2,4-dinitro-phenylhydrazone) 

Relevant articles and documents

Cassis and Green Tea: Spontaneous Release of Natural Aroma Compounds from β-Alkylthioalkanones

In depth headspace analysis of the slow degradation of β-alkylthioalkanones in ambient air led to the discovery of a novel δ-cleavage pathway, by which β-mercaptoketones are released. Since β-mercaptoketones are potent natural aroma compounds occurring in many fruits, herbs and flowers, the discovery of an enzyme-independent molecular precursor for this class of high-impact molecules is of practical importance. Moreover, the formation of β-diketones and aldehydes by concomitant oxidation at the α-sulfur-position enhances the versatility of this class of aroma precursors. A mechanistic model is proposed which suggests that the oxidative degradation occurs through a novel Pummerer-type rearrangement of initially formed persulfoxides.