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· · COA & SDS available for every product · Same-day shipping on in-stock items Diethyl Benzoylmalonate - ≥97% , CAS No.1087-97-4
Synonyms
Diethyl benzoylmalonate | Diethyl2-benzoylmalonate | SCHEMBL2098734 | A801926 | diethyl 2-(phenylcarbonyl)propanedioate | MFCD00059381 | 11K-351S | AKOS005069453 | Propanedioic acid, benzoyl-, diethyl ester | DTXSID50341016 | RIQBATDJIKIMBM-UHFFFAOYSA-N |
Storage
Room temperature,Desiccated,Cool
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated,Cool 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
Diethyl benzoylmalonate | Diethyl2-benzoylmalonate | SCHEMBL2098734 | A801926 | diethyl 2-(phenylcarbonyl)propanedioate | MFCD00059381 | 11K-351S | AKOS005069453 | Propanedioic acid, benzoyl-, diethyl ester | DTXSID50341016 | RIQBATDJIKIMBM-UHFFFAOYSA-N |
Specifications & Purity
≥97%
Storage
Room temperature, Desiccated, Cool
Names and Identifiers Canonical Smiles CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC IUPAC Name diethyl 2-benzoylpropanedioate InChIKey RIQBATDJIKIMBM-UHFFFAOYSA-N INCHI 1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 Isomeric SMILES CCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC Molecular Weight 264.28 Reaxy-Rn 2700659 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2700659&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 Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Beta-keto acids and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Carboxylic acid ester - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.5 Flash Point(°C) 142 °C Boil Point(°C) 195°C/14mmHg(lit.) Molecular Weight 264.270 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 8 Exact Mass 264.1 Da Monoisotopic Mass 264.1 Da Topological Polar Surface Area 69.700 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 313.000 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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