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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 5-methyl-3-oxohexanoate - ≥98% , CAS No.30414-55-2
Synonyms
DS-7747 | A820362 | AKOS015918556 | Methyl5-methyl-3-oxohexanoate | STL301443 | 5-methyl-3-oxohexanoic acid methyl ester | 5-Methyl-3-oxo-hexanoic acid methyl ester | methyl ester5-methyl-3-oxo-hexanoic acid | SB36481 | UNII-8HH8B3RXAQ | METHYL 3-OXO-5-ME
Storage
Store at 2-8°C,Argon charged
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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,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.
Specifications Sinónimos
DS-7747 | A820362 | AKOS015918556 | Methyl5-methyl-3-oxohexanoate | STL301443 | 5-methyl-3-oxohexanoic acid methyl ester | 5-Methyl-3-oxo-hexanoic acid methyl ester | methyl ester5-methyl-3-oxo-hexanoic acid | SB36481 | UNII-8HH8B3RXAQ | METHYL 3-OXO-5-ME
Especificaciones y pureza
≥98%
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 504756850 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756850 Sonrisas canónicas CC(C)CC(=O)CC(=O)OC IUPAC Name methyl 5-methyl-3-oxohexanoate InChIKey WUGKTJAKSVEAFG-UHFFFAOYSA-N INCHI 1S/C8H14O3/c1-6(2)4-7(9)5-8(10)11-3/h6H,4-5H2,1-3H3 Isómeros SMILES CC(C)CC(=O)CC(=O)OC Peso molecular 158.19 Reaxy-Rn 1761391 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761391&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 methyl esters 1,3-dicarbonyl compounds Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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 Peso molecular 158.190 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 158.094 Da Monoisotopic Mass 158.094 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 149.000 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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