CAS 80172-02-7

3-[(Ethoxycarbonyl)oxy]benzoic acid

Description:

3-[(Ethoxycarbonyl)oxy]benzoic acid, also known by its CAS number 80172-02-7, is an organic compound characterized by the presence of both a benzoic acid moiety and an ethoxycarbonyl group. This compound features a carboxylic acid functional group (-COOH) attached to a benzene ring, which is further substituted at the 3-position with an ethoxycarbonyl group (-O-C(=O)-C2H5). The ethoxycarbonyl group enhances the compound's solubility in organic solvents and may influence its reactivity and interactions in various chemical environments. This substance is typically a white to off-white solid and is soluble in polar organic solvents. Its structure suggests potential applications in organic synthesis, pharmaceuticals, and as an intermediate in the preparation of more complex molecules. The presence of both the carboxylic acid and the ester functionalities allows for diverse chemical reactivity, including esterification and acylation reactions. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use.

Formula: C₁₀H₁₀O₅

InChI: InChI=1S/C10H10O5/c1-2-14-10(13)15-8-5-3-4-7(6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

InChI key: InChIKey=RACYQIFUABRHNE-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-[(ethoxycarbonyl)oxy]-
• 3-[(Ethoxycarbonyl)oxy]benzoic acid