CAS 87898-93-9

Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester

Description:

Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester, identified by the CAS number 87898-93-9, is an organic compound characterized by its ester functional group and a pentanoic acid backbone. This compound features a dioxo structure, indicating the presence of two carbonyl groups (C=O) adjacent to the ester linkage, which contributes to its reactivity and potential applications in organic synthesis. The presence of the ethyl ester group suggests that it is a derivative of pentanoic acid, which may impart specific solubility and volatility characteristics. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. The compound may also exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure likely influences its physical properties, such as boiling point, melting point, and solubility in various solvents. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₉H₁₄O₄

InChI: InChI=1S/C9H14O4/c1-5-13-8(12)6(10)7(11)9(2,3)4/h5H2,1-4H3

InChI key: BCNGLKWSQNYMKN-UHFFFAOYSA-N

SMILES: CCOC(=O)C(=O)C(=O)C(C)(C)C

Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester

CAS: 87898-93-9

Formula: C₉H₁₄O₄

Molecular weight: 186.2051

Ref: IN-DA004FWN