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· · COA & SDS available for every product · Same-day shipping on in-stock items 2',3',4'-Trihydroxyacetophenone - ≥98%(HPLC)(T) , CAS No.528-21-2
Synonyms
AKOS002214745 | Gallacetophenone, 97% | W-105794 | InChI=1/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H | 2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka- Trihydroxyacetophenone | C70E921C4P | GALLACETOPHENONE
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Why this grade ≥98%(HPLC)(T) 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
AKOS002214745 | Gallacetophenone, 97% | W-105794 | InChI=1/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3, 10-12H, 1H | 2 inverted exclamation marka, 3 inverted exclamation marka, 4 inverted exclamation marka- Trihydroxyacetophenone | C70E921C4P | GALLACETOPHENONE
Specifications & Purity
≥98%(HPLC)(T)
Names and Identifiers Pubchem Sid 488181167 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181167 Canonical Smiles CC(=O)C1=C(C(=C(C=C1)O)O)O IUPAC Name 1-(2,3,4-trihydroxyphenyl)ethanone InChIKey XIROXSOOOAZHLL-UHFFFAOYSA-N INCHI 1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3 Isomeric SMILES CC(=O)C1=C(C(=C(C=C1)O)O)O WGK Germany 3 RTECS AN0527000 PubChem CID 10706 Molecular Weight 168.15 Beilstein 8393 Reaxy-Rn 1240320
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 Acetophenones 5-unsubstituted pyrrogallols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - 5-unsubstituted pyrrogallol - Acetophenone - Benzenetriol - Pyrogallol derivative - Benzoyl - Aryl alkyl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Polyol - 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 170 °C Molecular Weight 168.150 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 168.042 Da Monoisotopic Mass 168.042 Da Topological Polar Surface Area 77.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 180.000 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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