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4-Methyl-4-sulfanyl-2-pentanone(CAS: 19872-52-7)

4-Methyl-4-sulfanyl-2-pentanone
CAS Number

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Basic Information

Molecular Formula
C6H12OS
Molecular Weight
132.23 g/mol

Physical Properties

Boiling Point
174℃
Flash Point
54 °C
Water Solubility
Soluble in water.

Chemical Identifiers

SMILES
CC(=O)CC(C)(C)S
InChIKey
QRNZMFDCKKEPSX-UHFFFAOYSA-N

Database References

MDL Number
MFCD00085208

FAQ

4-Methyl-4-sulfanyl-2-pentanone (CAS: 19872-52-7) is a colorless to light yellow liquid. It has a molecular weight of approximately 132.19 g/mol. The compound is soluble in ethanol and acetone but slightly soluble in water. It is a moderately reactive compound, especially under basic conditions. It has a boiling point of 168°C and a melting point of -31°C. It is slightly acidic and can undergo nucleophilic substitution reactions.
4-Methyl-4-sulfanyl-2-pentanone (CAS: 19872-52-7) can be synthesized via the reaction of methyl acetoacetate with carbon disulfide in the presence of a base such as sodium hydroxide. The reaction is carried out at elevated temperatures, typically around 80°C, to promote the nucleophilic substitution. The yield is typically around 70-75%, and the selectivity for the 4-methyl-4-sulfanyl-2-pentanone product is high.
4-Methyl-4-sulfanyl-2-pentanone (CAS: 19872-52-7) is used in various industries. It is an important intermediate in the synthesis of flavor and fragrance compounds, particularly for fruity and floral notes. It is also used in the pharmaceutical industry for the synthesis of certain drugs. Additionally, it is used in the polymer industry as a monomer and in the production of sensors for detecting sulfur compounds.
When handling 4-Methyl-4-sulfanyl-2-pentanone (CAS: 19872-52-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a fume hood to minimize exposure. Spills should be contained and disposed of according to local regulations. The material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures. Storage should be in a cool, dry place away from heat sources and oxidizing agents.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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