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CAS 1522-30-1

:

ethyl 2-acetyl-5-methylhexanoate

Description:
Ethyl 2-acetyl-5-methylhexanoate, with the CAS number 1522-30-1, is an organic compound belonging to the class of esters. It is characterized by its fruity aroma, which makes it valuable in the flavor and fragrance industries. The molecular structure consists of an ethyl group attached to a hexanoate backbone, featuring an acetyl group at the second carbon and a methyl group at the fifth carbon. This configuration contributes to its unique sensory properties. Ethyl 2-acetyl-5-methylhexanoate is typically a colorless to pale yellow liquid, exhibiting moderate volatility. It is soluble in organic solvents but has limited solubility in water, which is common for many esters. The compound is often used as a flavoring agent in food products and as a fragrance component in cosmetics and perfumes. Safety data indicates that, while it is generally regarded as safe in low concentrations, proper handling and storage are essential to avoid potential irritation or adverse reactions.
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
SMILES:CCOC(=O)[C@H](CCC(C)C)C(=O)C
Synonyms:
  • Hexanoic Acid, 2-Acetyl-5-Methyl-, Ethyl Ester
  • Ethyl 7-Methyl-3-Oxooctanoate
  • Ethyl 2-acetyl-5-methylhexanoate
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