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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Acetylbenzoic Acid - ≥98% , CAS No.586-89-0
Synonyms
4'-Acetophenonecarboxylic Acid | 4-Acetylbenzoic acid, 98% | W-105367 | DTXSID30207323 | GS-3274 | p-acetylbenzoic acid | SCHEMBL211540 | Z335574216 | AKOS005207115 | EN300-31858 | A20110 | FT-0600907 | AM20061140 | AE-562/42531783 | EINECS 209-588-5 | NS
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4'-Acetophenonecarboxylic Acid | 4-Acetylbenzoic acid, 98% | W-105367 | DTXSID30207323 | GS-3274 | p-acetylbenzoic acid | SCHEMBL211540 | Z335574216 | AKOS005207115 | EN300-31858 | A20110 | FT-0600907 | AM20061140 | AE-562/42531783 | EINECS 209-588-5 | NS
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488181353 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181353 Canonical Smiles CC(=O)C1=CC=C(C=C1)C(=O)O IUPAC Name 4-acetylbenzoic acid InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N INCHI 1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12) Isomeric SMILES CC(=O)C1=CC=C(C=C1)C(=O)O WGK Germany 3 Molecular Weight 164.16 Reaxy-Rn 2207355 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207355&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoic acids Acetophenones Benzoyl derivatives Aryl alkyl ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoic acid - Benzoic acid or derivatives - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water. Melt Point(°C) 210 °C Molecular Weight 164.160 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 164.047 Da Monoisotopic Mass 164.047 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 190.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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