CAS 104216-92-4

Benzoic acid, 2-(methoxymethyl)-, ethyl ester

Description:

Benzoic acid, 2-(methoxymethyl)-, ethyl ester, with the CAS number 104216-92-4, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and an ethyl alcohol moiety. This compound typically appears as a colorless to pale yellow liquid and is known for its pleasant, fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic characteristics. The presence of the methoxymethyl group enhances its reactivity and potential applications in organic synthesis. Benzoic acid derivatives are often utilized in the production of fragrances, flavoring agents, and as intermediates in the synthesis of pharmaceuticals. Additionally, this compound may exhibit antimicrobial properties, making it of interest in food preservation and cosmetic formulations. As with many organic compounds, handling should be done with care, following appropriate safety guidelines to mitigate any potential health risks associated with exposure.

Formula: C₁₁H₁₄O₃

InChI: InChI=1S/C11H14O3/c1-3-14-11(12)10-7-5-4-6-9(10)8-13-2/h4-7H,3,8H2,1-2H3

InChI key: InChIKey=HEIQOYGOYDRJDX-UHFFFAOYSA-N

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

Synonyms:

• o-Toluic acid, α-methoxy-, ethyl ester
• Benzoic acid, 2-(methoxymethyl)-, ethyl ester
• Ethyl 2-(methoxymethyl)benzoate
• 2-Methoxymethyl-benzoic acid ethyl ester