CAS 898764-32-4

3,3-Dimethyl-1-[2-(methylthio)phenyl]-1-butanone

Description:

3,3-Dimethyl-1-[2-(methylthio)phenyl]-1-butanone, with the CAS number 898764-32-4, is an organic compound characterized by its complex structure, which includes a ketone functional group and a methylthio substituent on a phenyl ring. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive odor, which can be reminiscent of certain flavoring agents or fragrances. It is soluble in organic solvents, reflecting its non-polar characteristics, while its solubility in water is limited due to the hydrophobic nature of the alkyl and aromatic groups. The presence of the methylthio group can impart unique chemical reactivity, making it of interest in various synthetic applications, including organic synthesis and potentially in the development of fragrances or flavor compounds. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance, to ensure proper safety measures are taken during its use in laboratory or industrial settings.

Formula: C₁₃H₁₈OS

InChI: InChI=1S/C13H18OS/c1-13(2,3)9-11(14)10-7-5-6-8-12(10)15-4/h5-8H,9H2,1-4H3

InChI key: InChIKey=IZCPSCQROHEDCO-UHFFFAOYSA-N

SMILES: C(CC(C)(C)C)(=O)C1=C(SC)C=CC=C1

Synonyms:

• 3,3-Dimethyl-1-[2-(methylthio)phenyl]-1-butanone
• 1-Butanone, 3,3-dimethyl-1-[2-(methylthio)phenyl]-