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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 2-Methylacetoacetate - ≥95%(GC) , CAS No.609-14-3
Synonyms
2-methyl-3-oxobutanoic acid ethyl ester | 2-methyl-3-oxo-butanoic acid ethyl ester | cid_701 | NCGC00090968-02 | Ethyl 2-methylacetoacetate | ethyl 2-methyl-acetoacetate | Ethyl 2-methylaceto-acetate | Ethyl 2-methyl-3-oxobutanoate | BDBM74254 | E-8300 |
Storage
Argon charged,Room temperature
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Why this grade ≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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.
Overview • Ethyl 2-methylacetoacetate is used as a substrate in the rhenium-catalyzed synthesis of multisubstituted aromatic compounds.
• It can be employed in the synthesis of coumarin derivatives via Pechmann condensation.
• It undergoes dehydration to yield conjugated alkynyl and allenyl esters.
• It is also used in the total synthesis of chlorotonil A,yangjinhualine A, (+)- and (−)-saudin.
Specifications Synonyms
2-methyl-3-oxobutanoic acid ethyl ester | 2-methyl-3-oxo-butanoic acid ethyl ester | cid_701 | NCGC00090968-02 | Ethyl 2-methylacetoacetate | ethyl 2-methyl-acetoacetate | Ethyl 2-methylaceto-acetate | Ethyl 2-methyl-3-oxobutanoate | BDBM74254 | E-8300 |
Specifications & Purity
≥95%(GC)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488179540 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488179540 Canonical Smiles CCOC(=O)C(C)C(=O)C IUPAC Name ethyl 2-methyl-3-oxobutanoate InChIKey FNENWZWNOPCZGK-UHFFFAOYSA-N INCHI 1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3 Isomeric SMILES CCOC(=O)C(C)C(=O)C WGK Germany 3 Molecular Weight 144.17 Beilstein 1071740 Reaxy-Rn 1071742 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071742&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 acids and derivatives Class Keto acids and derivatives Subclass Beta-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Beta-keto acids and derivatives Alternative Parents Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. External Descriptors a small molecule 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 Insoluble in water Sensitivity Air sensitive Refractive Index 1.418 Flash Point(°F) 145.4 °F Flash Point(°C) 62°C(lit.) Boil Point(°C) 185°C(lit.) Molecular Weight 144.170 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 144.079 Da Monoisotopic Mass 144.079 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 140.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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