CAS 898792-85-3

Ethyl 2,5-dimethyl-ζ-oxobenzeneheptanoate

Description:

Ethyl 2,5-dimethyl-ζ-oxobenzeneheptanoate, with the CAS number 898792-85-3, is an organic compound that belongs to the class of esters. It features a complex structure characterized by a benzene ring substituted with two methyl groups at the 2 and 5 positions, and an ethyl ester functional group linked to a heptanoic acid chain. This compound is likely to exhibit moderate to low solubility in water due to its hydrophobic hydrocarbon chains, while being more soluble in organic solvents. The presence of the ester functional group suggests that it may have a pleasant, fruity odor, typical of many esters. Additionally, the compound may participate in various chemical reactions, such as hydrolysis, transesterification, and condensation, making it potentially useful in synthetic organic chemistry. Its specific applications, stability, and reactivity would depend on the surrounding conditions and the presence of other reactants. As with many organic compounds, safety precautions should be taken when handling it, considering potential toxicity or environmental impact.

Formula: C₁₇H₂₄O₃

InChI: InChI=1S/C17H24O3/c1-4-20-17(19)9-7-5-6-8-16(18)15-12-13(2)10-11-14(15)3/h10-12H,4-9H2,1-3H3

InChI key: InChIKey=LAZITRPWOFIMMI-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=C(C)C=CC(C)=C1

Synonyms:

• Benzeneheptanoic acid, 2,5-dimethyl-ζ-oxo-, ethyl ester
• Ethyl 2,5-dimethyl-ζ-oxobenzeneheptanoate