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CAS 84389-67-3

:

ethyl 2-acetyl-5-methylhexanoate

Description:
Ethyl 2-acetyl-5-methylhexanoate, with the CAS number 84389-67-3, is an organic compound that belongs to the class of esters. It is characterized by its fruity aroma, which makes it valuable in the flavor and fragrance industry. The molecular structure features a hexanoate backbone with an acetyl group and an ethyl ester functional group, contributing to its distinctive scent profile. This compound is typically a colorless to pale yellow liquid and is soluble in organic solvents, while having limited solubility in water. Ethyl 2-acetyl-5-methylhexanoate is often used as a flavoring agent in food products and beverages, as well as in perfumery. Its stability under normal conditions allows for a wide range of applications, although it should be handled with care due to potential irritant properties. Overall, this compound exemplifies the diverse functionalities of esters in both natural and synthetic contexts.
Formula:C11H20O3
InChI:InChI=1/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3/t10-/m1/s1
InChI key:GZUWNFIBFADJNF-UHFFFAOYSA-N
SMILES:CCOC(=O)CC(=O)CCCC(C)C
Synonyms:
  • Hexanoic Acid, 2-Acetyl-5-Methyl-, Ethyl Ester
  • Ethyl 7-Methyl-3-Oxooctanoate
  • Ethyl 2-acetyl-5-methylhexanoate
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