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CAS 60178-20-3

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Ethyl 2-[(1,1-dimethylethyl)thio]acetate

Description:
Ethyl 2-[(1,1-dimethylethyl)thio]acetate, with the CAS number 60178-20-3, is an organic compound characterized by its ester functional group. It features an ethyl group attached to an acetate moiety, with a thioether substituent that includes a tert-butyl group. This compound is typically a colorless to pale yellow liquid with a characteristic odor, making it potentially useful in flavor and fragrance applications. It is moderately soluble in organic solvents and exhibits low solubility in water due to its hydrophobic thioether component. Ethyl 2-[(1,1-dimethylethyl)thio]acetate may be synthesized through esterification reactions involving acetic acid and the corresponding thiol. Its chemical stability is generally good under standard conditions, although it may be sensitive to strong oxidizing agents. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if inhaled or ingested. Overall, this compound's unique structure and properties make it of interest in various chemical and industrial applications.
Formula:C8H16O2S
InChI:InChI=1S/C8H16O2S/c1-5-10-7(9)6-11-8(2,3)4/h5-6H2,1-4H3
InChI key:InChIKey=FFJMCUJLEIRSMJ-UHFFFAOYSA-N
SMILES:C(CSC(C)(C)C)(OCC)=O
Synonyms:
  • Acetic acid, (tert-butylthio)-, ethyl ester
  • Acetic acid, 2-[(1,1-dimethylethyl)thio]-, ethyl ester
  • Acetic acid, [(1,1-dimethylethyl)thio]-, ethyl ester
  • Ethyl (Tert-Butylthio)Acetate
  • Ethyl 2-[(1,1-dimethylethyl)thio]acetate
  • Ethyl tert-butylthioacetate
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