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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Diethyl isoamylmalonate - ≥97% , CAS No.5398-08-3
Disponível para encomenda
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
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Room temperature,Argon charged
Nomes e identificadores Sorrisos canónicos
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
SMILES isoméricas
CCOC(=O)C(CCC(C)C)C(=O)OCC
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 Classe 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 Descrição 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de ebulição (°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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