Description

3-Acetylbenzoic Acid (CAS 586-42-5) is a high-purity organic compound with the molecular formula C₉H₈O₃. This white to off-white crystalline powder is widely used in pharmaceutical and chemical research due to its dual functional groups (acetyl and carboxylic acid), making it a versatile intermediate for synthesis. With a purity of ≥98%, our product is rigorously tested via HPLC, GC, and NMR to ensure consistency and reliability. Ideal for organic synthesis, medicinal chemistry, and material science applications, 3-Acetylbenzoic Acid is packaged under inert conditions to guarantee stability and longevity. Available in quantities ranging from grams to kilograms, it is supplied with comprehensive analytical data (COA, MSDS) for regulatory compliance.

Properties

• CAS Number: 586-42-5
• Complexity: 198
• IUPAC Name: 3-acetylbenzoic acid
• InChI: InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
• InChI Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-N
• Exact Mass: 164.047344113
• Molecular Formula: C9H8O3
• Molecular Weight: 164.16
• SMILES: CC(=O)C1=CC(=CC=C1)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 164.047344113
• Synonyms: 3-Acetylbenzoic acid, 586-42-5, CHZPJUSFUDUEMZ-UHFFFAOYSA-, DTXSID40277572, DTXCID30228730, 629-958-3, inchi=1/c9h8o3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5h,1h3,(h,11,12), m-acetylbenzoic acid, Benzoic acid, 3-acetyl-, 3-Acetophenonecarboxylic Acid, MFCD00045847, 3′-Acetophenonecarboxylic Acid, 3-(1-Oxoethyl)benzoic acid, 3-Acetylbenzoicacid, NSC2932, ACETOPHENONE-3-CARBOXYLIC ACID, 3-acetyl benzoic acid, 3-acetyl-benzoic acid, 3-Acetylbenzoic acid, 98%, Benzoyl methide-m-carboxylic;, SCHEMBL246827, SCHEMBL27987408, CHZPJUSFUDUEMZ-UHFFFAOYSA-N, ALBB-006410, NSC-2932, CK2180, SBB048202, STK503902, AKOS005171601, CS-W018492, FA57262, PS-3016, SY010673, DB-022168, A1652, ST50405626, EN300-86148, AE-562/43460672, Z1203161684

3-Acetylbenzoic Acid serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its acetyl and carboxylic acid groups enable reactions such as esterification, amidation, and condensation. Researchers utilize it in the development of drug candidates and fine chemicals. It is also employed in material science for polymer modification and as a building block for advanced organic frameworks.

Safety and Hazards

GHS Hazard Statements

• H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (88.9%)
• Eye Irrit. 2A (88.9%)
• STOT SE 3 (77.8%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.