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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 2,4-Dioxo-4-Phenylbutanoate - ≥98% , CAS No.20577-73-5
Synonyms
Oprea1_198193 | STK741586 | Methyl 4-phenyl-2,4-dioxobutanoate | (Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid methyl ester | benzenebutanoic acid, alpha,gamma-dioxo-, methyl ester | methyl 2,4-dioxo-4-phenylbutanoate | methyl 2,4-dioxo-4-phenyl-butanoate
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
Oprea1_198193 | STK741586 | Methyl 4-phenyl-2, 4-dioxobutanoate | (Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid methyl ester | benzenebutanoic acid, alpha, gamma-dioxo-, methyl ester | methyl 2, 4-dioxo-4-phenylbutanoate | methyl 2, 4-dioxo-4-phenyl-butanoate
Specifications & Purity
≥98%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C(=O)CC(=O)C1=CC=CC=C1 IUPAC Name methyl 2,4-dioxo-4-phenylbutanoate InChIKey AQYAHPDSJAFBOS-UHFFFAOYSA-N INCHI 1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3 Isomeric SMILES COC(=O)C(=O)CC(=O)C1=CC=CC=C1 Molecular Weight 206.2 Reaxy-Rn 644545 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=644545&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 Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Gamma-keto acid - 1,3-diketone - Fatty acid ester - Alpha-keto acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - 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 Molecular Weight 206.190 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 206.058 Da Monoisotopic Mass 206.058 Da Topological Polar Surface Area 60.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 264.000 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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