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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,3,5-Triacetylbenzene - ≥98%(GC) , CAS No.779-90-8
Synonyms
W-104290 | Benzene, 1,3,5-triacetyl- | 1,1',1''-benzene-1,3,5-triyltriethanone | 1-(3,5-diacetylphenyl)ethanone | SY053070 | Ethanone,1',1''-(1,3,5-benzenetriyl)tris- | MFCD00008741 | SR-01000242331 | FT-0606501 | Cambridge id 6741393 | 1,3,5-Triacetylben
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Why this grade ≥98%(GC) 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
W-104290 | Benzene, 1, 3, 5-triacetyl- | 1, 1', 1''-benzene-1, 3, 5-triyltriethanone | 1-(3, 5-diacetylphenyl)ethanone | SY053070 | Ethanone, 1', 1''-(1, 3, 5-benzenetriyl)tris- | MFCD00008741 | SR-01000242331 | FT-0606501 | Cambridge id 6741393 | 1, 3, 5-Triacetylben
Specifications & Purity
≥98%(GC)
Names and Identifiers Pubchem Sid 488184432 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184432 Canonical Smiles CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C IUPAC Name 1-(3,5-diacetylphenyl)ethanone InChIKey HSOAIPRTHLEQFI-UHFFFAOYSA-N INCHI 1S/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3 Isomeric SMILES CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C PubChem CID 69904 Molecular Weight 204.23
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 Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - 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 Solubility Solubility in water: Practically Insoluble; Degree of Solubility in water: 1 g/l 20 °C Melt Point(°C) 163 °C Molecular Weight 204.220 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 204.079 Da Monoisotopic Mass 204.079 Da Topological Polar Surface Area 51.200 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 234.000 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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