Description

4-Acetylbenzoic Acid (CAS No. 586-89-0) is a high-purity organic compound with the molecular formula C₉H₈O₃. This white to off-white crystalline powder is a derivative of benzoic acid, featuring an acetyl group at the para position. With a molecular weight of 164.16 g/mol, it is widely utilized in pharmaceutical synthesis, organic intermediates, and material science research. Its IUPAC name is 4-acetylbenzoic acid, and it is characterized by excellent stability under standard conditions. Our product is rigorously tested for purity (≥98% by HPLC) and is supplied in sealed packaging to ensure integrity. Ideal for researchers requiring precise chemical building blocks for ketone or carboxylate functional group transformations.

Properties

• CAS Number: 586-89-0
• Complexity: 190
• IUPAC Name: 4-acetylbenzoic acid
• InChI: InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
• InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N
• Exact Mass: 164.047344113
• Molecular Formula: C9H8O3
• Molecular Weight: 164.16
• SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 164.047344113
• Synonyms: 4-ACETYLBENZOIC ACID, 586-89-0, Benzoic acid, 4-acetyl-, EINECS 209-588-5, DTXSID30207323, NSC 16644, DTXCID30129814, 209-588-5, qbhdsqzasibaai-uhfffaoysa-n, p-acetylbenzoic acid, 4-Acetyl-benzoic acid, MFCD00002561, 4-Acetylbenzoicacid, 4-Acetylbenzoci acid, Acetophenone-4-carboxylic acid, 4′-Acetophenonecarboxylic Acid, NSC16644, 4-acetylbezoic acid, 4-carboxyacetophenone, 4-acetyl benzoic acid, 4-(acetyl)benzoic acid, 4-Acetylbenzoic acid, 98%, SCHEMBL211540, Acetophenone 4-carboxylic acid, CHEMBL130010, SCHEMBL5842596, NSC-16644, SBB051425, AKOS005207115, CS-W001939, FA33613, GS-3274, HY-W001939, AC-18314, PD210455, SY012789, DB-005323, A1024, NS00033998, ST45028131, EN300-31858, AE-562/42531783, F0001-1531, Z335574216

Application

4-Acetylbenzoic Acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-inflammatory and antimicrobial agents. It is also employed in organic synthesis for constructing complex molecules via its reactive acetyl and carboxyl functional groups. Additionally, this compound finds use in material science for modifying polymer properties or as a precursor for liquid crystal materials.

Safety and Hazards

GHS Hazard Statements

• H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (10.7%): 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 (12.5%)
• Eye Irrit. 2A (12.5%)
• STOT SE 3 (10.7%)

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