Atomfair Ethyl 3-acetylbenzoate C11H12O3 CAS 37847-24-8

Description

Ethyl 3-acetylbenzoate (CAS No. 37847-24-8) is a high-purity aromatic ester compound with the molecular formula C₁₁H₁₂O₃. This versatile organic intermediate features both an acetyl and an ester functional group, making it valuable for synthetic applications in pharmaceutical, agrochemical, and material science research. The compound is supplied as a clear to pale-yellow liquid with a characteristic aromatic odor, and its purity is rigorously verified by GC/HPLC analysis (typically ≥98%).

Key specifications include a molecular weight of 192.21 g/mol, boiling point of approximately 285-290°C, and density of ~1.12 g/cm³ at 25°C. The product is packaged under inert gas in amber glass bottles to ensure stability and shipped with a comprehensive Certificate of Analysis. Shelf life is 24 months when stored at 2-8°C in a tightly sealed container away from moisture and oxidizing agents.

Researchers value this compound for its role as a building block in heterocyclic synthesis and as a precursor for liquid crystal materials. The meta-substitution pattern offers unique reactivity compared to ortho- or para-isomers. Technical data including ¹H/¹³C NMR spectra and FT-IR profiles are available upon request.

Properties

• CAS Number: 37847-24-8
• Complexity: 223
• IUPAC Name: ethyl 3-acetylbenzoate
• InChI: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3
• InChI Key: KHTGDCLCPJJWEY-UHFFFAOYSA-N
• Exact Mass: 192.078644241
• Molecular Formula: C11H12O3
• Molecular Weight: 192.21
• SMILES: CCOC(=O)C1=CC=CC(=C1)C(=O)C
• Topological: 43.4
• Monoisotopic Mass: 192.078644241
• Synonyms: Ethyl 3-acetylbenzoate, 37847-24-8, DTXSID80461579, DTXCID70412398, MFCD02261283, ETHYL3-ACETYLBENZOATE, 3-acetylBenzoic acid ethyl ester, Benzoic acid, 3-acetyl-, ethyl ester, SCHEMBL688855, KHTGDCLCPJJWEY-UHFFFAOYSA-N, AKOS006278019, AS-31198, SY015674, DB-024099, CS-0151745, Q63409284

Application

Ethyl 3-acetylbenzoate serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and central nervous system agents. The compound’s acetyl group enables facile condensation reactions for constructing heterocyclic scaffolds prevalent in medicinal chemistry. In material science, it functions as a monomer precursor for specialty polymers with enhanced thermal stability. The ester moiety also permits straightforward derivatization via hydrolysis or transesterification reactions.

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