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CAS 2050-01-3

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Isoamyl isobutyrate

Description:
Isoamyl isobutyrate, with the CAS number 2050-01-3, is an ester formed from isoamyl alcohol and isobutyric acid. It is characterized by its fruity odor, often described as reminiscent of bananas or pears, making it a popular choice in the flavor and fragrance industry. This compound is typically a colorless to pale yellow liquid and is soluble in organic solvents while being less soluble in water. Isoamyl isobutyrate has a relatively low boiling point, which contributes to its volatility and suitability for use in various applications, including food flavoring and perfumery. Additionally, it exhibits a moderate flash point, indicating that it should be handled with care to avoid ignition. Its chemical structure allows for a range of applications, including use as a solvent and in the synthesis of other chemical compounds. Overall, isoamyl isobutyrate is valued for its pleasant aroma and versatility in both industrial and consumer products.
Formula:C9H18O2
InChI:InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChI key:InChIKey=VFTGLSWXJMRZNB-UHFFFAOYSA-N
SMILES:O(C(C(C)C)=O)CCC(C)C
Synonyms:
  • 3-Methyl-1-butyl isobutyrate
  • 3-Methylbutyl 2-methylpropanoate
  • 3-Methylbutyl isobutyrate
  • Isoamyl 2-methylpropanoate
  • Isoamyl isobutanoate
  • Isobutyric acid, isopentyl ester
  • Isopentyl Isobutyrate
  • Isopentyl alcohol, isobutyrate
  • Propanoic acid, 2-methyl-, 3-methylbutyl ester
  • See more synonyms
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