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CAS 5461-06-3

:

isobutyl octanoate

Description:
Isobutyl octanoate, with the CAS number 5461-06-3, is an ester formed from isobutanol and octanoic acid. It is characterized by its fruity odor, often reminiscent of apples or pears, making it a popular choice in the flavor and fragrance industries. This compound is a colorless to pale yellow liquid that is relatively non-polar, which enhances its solubility in organic solvents while being less soluble in water. Isobutyl octanoate has a moderate boiling point and a low vapor pressure, indicating that it does not readily evaporate at room temperature. Its chemical structure contributes to its stability under normal conditions, although it may undergo hydrolysis in the presence of strong acids or bases. Additionally, isobutyl octanoate is used in various applications, including as a flavoring agent in food products and as a solvent in chemical processes. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes.
Formula:C12H24O2
InChI:InChI=1/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChI key:InChIKey=CFQRBRGFNFRMBD-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(CCCCCCC)=O
Synonyms:
  • 2-Methylpropyl Octanoate
  • Isobutyl caprylate
  • NSC 23943
  • Octanoic acid, 2-methylpropyl ester
  • Octanoic acid, isobutyl ester
  • n-Caprylic acid isobutyl ester
  • Isobutyl octanoate
  • Caprylic acid isobutyl ester
  • Bitter isobutyl
  • -Octanoate
  • See more synonyms
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