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CAS 4927-36-0

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5-Methyl-5-phenyl-3-hexanone

Description:
5-Methyl-5-phenyl-3-hexanone, with the CAS number 4927-36-0, is an organic compound classified as a ketone. It features a six-carbon chain with a methyl group and a phenyl group attached to the fifth carbon, contributing to its unique structure and properties. This compound is typically a colorless to pale yellow liquid with a characteristic odor, making it useful in various applications, including as a flavoring agent or fragrance. Its molecular structure includes a carbonyl group (C=O), which is responsible for its reactivity and interactions with other chemical species. The presence of both aliphatic and aromatic components in its structure can influence its solubility, volatility, and stability. Additionally, 5-Methyl-5-phenyl-3-hexanone may exhibit moderate toxicity, necessitating proper handling and safety precautions in laboratory and industrial settings. Its synthesis often involves the condensation of appropriate precursors, and it can be analyzed using techniques such as gas chromatography and mass spectrometry for purity and identification.
Formula:C13H18O
InChI:InChI=1S/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChI key:InChIKey=VEZKFOIEZCNFBT-UHFFFAOYSA-N
SMILES:C(CC(CC)=O)(C)(C)C1=CC=CC=C1
Synonyms:
  • 2-Methyl-2-phenyl-4-hexanone
  • 5-Methyl-5-phenyl-3-hexanone
  • 2-[(4-methylphenyl)sulfonyl]-3-(4-oxo-2-thioxoimidazolidin-1-yl)prop-2-enenitrile
  • 5-Methyl-5-phenylhexan-3-one
  • 5-Phenyl-5-methylhexan-3-one
  • 3-Hexanone, 5-methyl-5-phenyl-
  • 5-Methyl-5-phenylhexan-3-one
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