CAS 39199-12-7

3,3-Dimethyl-1-(methylthio)-2-butanone

Description:

3,3-Dimethyl-1-(methylthio)-2-butanone, with the CAS number 39199-12-7, is an organic compound characterized by its ketone functional group and the presence of both methyl and thioether substituents. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor, often described as sweet or sulfurous. It has a relatively low boiling point, which is common for small organic molecules, and is soluble in organic solvents. The presence of the methylthio group contributes to its unique chemical properties, including potential reactivity in various organic synthesis reactions. Additionally, it may exhibit biological activity, making it of interest in fields such as flavor and fragrance chemistry, as well as in the study of natural products. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance, to ensure proper laboratory practices are followed.

Formula: C₇H₁₄OS

InChI: InChI=1S/C7H14OS/c1-7(2,3)6(8)5-9-4/h5H2,1-4H3

InChI key: InChIKey=MHHUUPYWCAKNBW-UHFFFAOYSA-N

SMILES: C(C(C)(C)C)(CSC)=O

Synonyms:

• 3,3-Dimethyl-1-(methylthio)-2-butanone
• 1-(Methylthio)pinacoline
• 2-Butanone, 3,3-dimethyl-1-(methylthio)-
• 3,3-Dimethyl-1-(methylsulfanyl)butan-2-one
• 3,3-Dimethyl-1-methylthio-2-butanone

3,3-Dimethyl-1-(methylsulfanyl)butan-2-one

CAS: 39199-12-7

3,3-Dimethyl-1-(methylsulfanyl)butan-2-one is an enolate that is used as a pesticide. It is typically applied to the soil or sprayed on plants. It can be modified to increase its insecticidal activity by adding other chemicals such as carbaryl, acetonitrile, or hydroxymethylphenyl. 3,3-Dimethyl-1-(methylsulfanyl)butan-2-one is metabolized by hydrolysis and methylcarbamates are formed. The sulfide group in the molecule reacts with oxygen to form sulfoxides and carbofuran, which are toxic to mammals and birds.

Formula: C₇H₁₄OS

Purity: Min. 95%

Molecular weight: 146.25 g/mol

Ref: 3D-PBA19912