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CAS 7779-81-9

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Isobutyl angelate

Description:
Isobutyl angelate, with the CAS number 7779-81-9, is an ester formed from the reaction of isobutanol and angelic acid. It is characterized by its pleasant fruity aroma, which makes it a popular choice in the flavor and fragrance industries. The compound typically appears as a colorless to pale yellow liquid and is known for its low volatility and moderate solubility in water, while being more soluble in organic solvents. Isobutyl angelate has a relatively low boiling point, which contributes to its use in various applications, including food flavoring and perfumery. Additionally, it is considered to have low toxicity, making it suitable for use in consumer products. Its chemical structure features a branched isobutyl group attached to the angelate moiety, which influences its sensory properties and reactivity. As with many esters, it can undergo hydrolysis in the presence of water and acids or bases, leading to the formation of the corresponding alcohol and acid.
Formula:C9H16O2
InChI:InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
InChI key:InChIKey=XDEGQMQKHFPBEW-YVMONPNESA-N
SMILES:C(OCC(C)C)(/C(=C\C)/C)=O
Synonyms:
  • (Z)-Isobutyl 2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
  • 2-Methylpropyl 2-Methylbut-2-Enoate
  • 2-Methylpropyl 2-methyl-2-butenoate, (Z)-
  • 2-methylpropyl (2Z)-2-methylbut-2-enoate
  • Angelicacidisobutylester
  • Crotonic acid, 2-methyl-, isobutyl ester, (Z)-
  • Einecs 231-941-7
  • FEMA No. 2180
  • See more synonyms
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