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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl acetoacetate - AR, ≥98% , CAS No.141-97-9
GRADE & PURITY AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥98% Synonyms
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
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Why this grade AR, ≥98% AR 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 43 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
Ethyl acetoacetate, puriss. p.a., >=99.0% (GC) | FEMA No. 2415 | MFCD00009199 | NSC 8657 | WLN: 2OV1V1 | Q47192 | STL163546 | Acetoctan ethylnaty [Czech] | active acetyl acetate | BBL012204 | 3-Oxo-butyric acid ethyl ester | A0649 | bmse000944 | ETHYL ACE
Especificaciones y pureza
AR, ≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180896
Sonrisas canónicas
CCOC(=O)CC(=O)C
IUPAC Name
ethyl 3-oxobutanoate
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
INCHI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Isómeros SMILES
CCOC(=O)CC(=O)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385838&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 Clase 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 Descripción 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Slightly soluble in water; Degree of Solubility in water: 28.6 g/l 20 °C; Miscible with Ether,Acetone Sensibilidad Moisture sensitive. Índice de refracción 1.42 Punto de inflamación (°F) 163.4 °F Punto de inflamación (°C) 85℃ Punto de ebullición (°C) 180°C Punto de fusión (°C) -45°C Peso molecular 130.139 g/mol XLogP3 0.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 130.063 Da Monoisotopic Mass 130.063 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 117.000 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
Preguntas frecuentes y artículos Citations of This Product Calculadoras de soluciones Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View AR grade guide →
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