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CAS 99948-88-6

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Isobutylionone

Description:
Isobutylionone, with the CAS number 99948-88-6, is an organic compound belonging to the class of ketones. It is characterized by its distinctive structure, which includes a branched isobutyl group attached to a carbonyl functional group. This compound typically exhibits a pleasant, floral, and fruity odor, making it valuable in the fragrance and flavor industry. Isobutylionone is often used as a flavoring agent in food products and as a fragrance component in perfumes and cosmetics. In terms of physical properties, it is generally a colorless to pale yellow liquid with moderate volatility. Its solubility varies, being more soluble in organic solvents than in water. Isobutylionone is also known for its stability under normal conditions, although it should be handled with care due to potential irritant properties. As with many organic compounds, safety data sheets should be consulted for handling and exposure guidelines. Overall, isobutylionone is a versatile compound with applications in various industries due to its aromatic qualities.
Formula:C16H26O
InChI:InChI=1/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
InChI key:InChIKey=QLDFUXZWCMSFEO-CMDGGOBGNA-N
SMILES:C(=C/C(CC(C)C)=O)\C1C(C)(C)CCC=C1C
Synonyms:
  • (E)-5-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
  • 1-Hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
  • Isobutylionone
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