1-(Methylsulfanyl)-2-butanone

Basic Information

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CAS Number

13678-58-5

Molecular Formula

C5H10OS

Molecular Weight

118.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

52-53 ºC (8 mm Hg)

SMILES

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CCC(=O)CSC

InChI

InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3

InChIKey

GOAGGJDTOMPTSA-UHFFFAOYSA-N

LogP

1.3285

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

61.1

Synonyms & References

English

1-(Methylthio)-2-butanone
1-methylsulfanylbutan-2-one
1-methylsulfanyl-butan-2-one
1-Methylthio-2-butanone
FEMA No. 3207
Methylthiomethyl ethyl ketone
FEMA 3207
Methylthio Butanone
1-(methylthio)butan-2-one
2-Butanone, 1-(methylthio)-

MDL Number

MFCD00209520

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5)?

1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5) is a colorless liquid with a slight odor. It has a molecular weight of 124.17 g/mol. The compound is poorly soluble in water but miscible with common organic solvents. It is moderately reactive with strong oxidizing agents. It is stable under normal storage conditions but can react with strong bases and acids.

How is 1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5) typically synthesized?

1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5) is typically synthesized through the reaction of methyl mercaptan with acetone using an appropriate catalyst such as a transition metal complex. The reaction is carried out under basic conditions to favor the formation of the desired product with high selectivity and yield.

What industries use 1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5)?

1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5) is primarily used in the pharmaceutical industry as a precursor for organic synthesis. It is also used in the polymer industry for functionalizing polymers, in sensor technology for detecting organic compounds, and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling 1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5)?

When handling 1-(Methylsulfanyl)-2-butanone (CAS: 13678-58-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be managed by carefully cleaning up with absorbent materials, followed by proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.