CAS 898776-18-6

Ethyl ε-oxocyclobutanehexanoate

Description:

Ethyl ε-oxocyclobutanehexanoate, identified by its CAS number 898776-18-6, is an organic compound that belongs to the class of esters. It features a cyclobutane ring, which contributes to its unique structural characteristics, along with a hexanoate chain that enhances its molecular complexity. The presence of the oxo group (a carbonyl group) within the cyclobutane framework suggests potential reactivity, particularly in nucleophilic addition reactions. This compound is likely to exhibit moderate volatility and solubility in organic solvents, typical of esters, while its specific physical properties such as boiling point and melting point would depend on the molecular interactions and the overall structure. Ethyl ε-oxocyclobutanehexanoate may find applications in organic synthesis, potentially serving as an intermediate in the production of more complex molecules or as a flavoring agent due to its ester nature. However, detailed studies on its toxicity, stability, and reactivity would be essential for understanding its practical applications and safety profile.

Formula: C₁₂H₂₀O₃

InChI: InChI=1S/C12H20O3/c1-2-15-12(14)9-4-3-8-11(13)10-6-5-7-10/h10H,2-9H2,1H3

InChI key: InChIKey=GOYGJHGQVWXZDH-UHFFFAOYSA-N

SMILES: C(CCCCC(OCC)=O)(=O)C1CCC1

Synonyms:

• Cyclobutanehexanoic acid, ε-oxo-, ethyl ester
• Ethyl ε-oxocyclobutanehexanoate