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CAS 40800-76-8

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Ethyl 2-(methylthio)propanoate

Description:
Ethyl 2-(methylthio)propanoate, with the CAS number 40800-76-8, is an organic compound that belongs to the class of esters. It is characterized by its ethyl ester functional group, which is derived from the reaction of ethanol and 2-(methylthio)propanoic acid. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it of interest in flavor and fragrance applications. Ethyl 2-(methylthio)propanoate is soluble in organic solvents and exhibits moderate volatility. Its chemical structure includes a propanoate backbone with a methylthio group, which contributes to its unique properties and reactivity. The presence of the methylthio group can influence its behavior in chemical reactions, including potential nucleophilic substitutions. As with many esters, it may undergo hydrolysis in the presence of water, leading to the formation of the corresponding acid and alcohol. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C6H12O2S
InChI:InChI=1S/C6H12O2S/c1-4-8-6(7)5(2)9-3/h5H,4H2,1-3H3
InChI key:InChIKey=OXAOBBCFHBVRBD-UHFFFAOYSA-N
SMILES:C(C(SC)C)(OCC)=O
Synonyms:
  • (±)-Ethyl 2-(methylthio)propanoate
  • Ethyl 2-(Methylsulfanyl)Propanoate
  • Propanoic acid, 2-(methylthio)-, ethyl ester
  • Propionic acid, 2-(methylthio)-, ethyl ester
  • Propionic acid, α-methylmercapto-, ethyl ester
  • Ethyl 2-(methylthio)propionate
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