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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl propionylacetate - ≥97% , CAS No.4949-44-4
Synonyms
Z839817064 | Ethyl 3-oxo-n-valerate | Pentanoic acid, 3-oxo-, ethyl ester | 3-Oxovaleric Acid Ethyl Ester | EINECS 225-593-5 | F8889-9376 | InChI=1/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3 | 6-bromo quinoline | NSC7251 | NSC-7251 | Valeric acid, 3-oxo-,
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged 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.
Descripción general Ethyl propionylacetate reacts with tropolone p-toluenesulfonate in the presence of sodium ethoxide to give 3-propionyl-2H-cyclohepta[b]furan-2-one.
Specifications Sinónimos
Z839817064 | Ethyl 3-oxo-n-valerate | Pentanoic acid, 3-oxo-, ethyl ester | 3-Oxovaleric Acid Ethyl Ester | EINECS 225-593-5 | F8889-9376 | InChI=1/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2, 1-2H3 | 6-bromo quinoline | NSC7251 | NSC-7251 | Valeric acid, 3-oxo-,
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
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Nombres e identificadores Pubchem Sid 504755308 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755308 Sonrisas canónicas CCC(=O)CC(=O)OCC IUPAC Name ethyl 3-oxopentanoate InChIKey UDRCONFHWYGWFI-UHFFFAOYSA-N INCHI 1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3 Isómeros SMILES CCC(=O)CC(=O)OCC WGK Alemania 3 Peso molecular 144.17 Beilstein 970270 Reaxy-Rn 970270 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970270&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 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Miscible with glacial acetic acid. Sensibilidad Heat &air sensitive Índice de refracción 1.422 Punto de inflamación (°F) 172.4 °F Punto de inflamación (°C) 77°C(170°F) Punto de ebullición (°C) 83-84°C/12mmHg Peso molecular 144.170 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 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 129.000 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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