CAS 898776-74-4

Ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate

Description:

Ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethyl alcohol. The presence of the 1,3-dioxolane ring in its structure contributes to its unique chemical properties, including potential reactivity and stability under various conditions. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor, indicative of its aromatic nature. It is soluble in organic solvents, which enhances its utility in various applications, including as a potential intermediate in organic synthesis and in the formulation of fragrances or flavoring agents. The compound may exhibit moderate toxicity, necessitating careful handling and appropriate safety measures during use. Additionally, its chemical structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both aromatic and cyclic ether functionalities. As with many organic compounds, its behavior in reactions can be influenced by factors such as temperature, solvent, and the presence of catalysts.

Formula: C₁₃H₁₆O₄

InChI: InChI=1S/C13H16O4/c1-2-15-13(14)11-6-4-3-5-10(11)9-12-16-7-8-17-12/h3-6,12H,2,7-9H2,1H3

InChI key: InChIKey=FZZNNVUUEWJYHV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(CC2OCCO2)C=CC=C1

Synonyms:

• Ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate
• Benzoic acid, 2-(1,3-dioxolan-2-ylmethyl)-, ethyl ester