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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Diethyl isoamylmalonate - ≥97% , CAS No.5398-08-3
Synonyms
diethyl 2-(3-methylbutyl)propanedioate | Malonic acid, isopentyl-, diethyl ester | 2-(3-methylbutyl)propanedioic acid diethyl ester | NSC4569 | NSC-4569 | Diethyl 3-methylbutylmalonate | AKOS015904458 | EINECS 226-424-8 | DIETHYL ISOAMYLMALONATE | NSC 456
Storage
Room temperature,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 Room temperature,Argon charged 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 Sinónimos
diethyl 2-(3-methylbutyl)propanedioate | Malonic acid, isopentyl-, diethyl ester | 2-(3-methylbutyl)propanedioic acid diethyl ester | NSC4569 | NSC-4569 | Diethyl 3-methylbutylmalonate | AKOS015904458 | EINECS 226-424-8 | DIETHYL ISOAMYLMALONATE | NSC 456
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature, Argon charged
Nombres e identificadores Pubchem Sid 488185720 Sonrisas canónicas CCOC(=O)C(CCC(C)C)C(=O)OCC IUPAC Name diethyl 2-(3-methylbutyl)propanedioate InChIKey MPJCIHOJXMCSIM-UHFFFAOYSA-N INCHI 1S/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3 Isómeros SMILES CCOC(=O)C(CCC(C)C)C(=O)OCC Peso molecular 230.3 Reaxy-Rn 1103770 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103770&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 Lipids and lipid-like molecules Clase Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid esters Alternative Parents Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 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 Punto de ebullición (°C) 248° C Peso molecular 230.300 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 9 Exact Mass 230.152 Da Monoisotopic Mass 230.152 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 205.000 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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