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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Iso-Butyl-2-Methylbutyrate - ≥98% , CAS No.2445-67-2
Synonyms
Butanoic acid, 2-methyl-, 2-methylpropyl ester | Isobutyl 2-methyIbutyrate | BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ESTER | AKOS006242617 | Iso-Butyl-2-Methylbutyrate | ISOBUTYL-2-METHYLBUTYRATE | 2-Methylbutanoic acid 2-methyl propyl ester | Butyric aci
Storage
Room temperature,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated 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
Butanoic acid, 2-methyl-, 2-methylpropyl ester | Isobutyl 2-methyIbutyrate | BUTANOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER | AKOS006242617 | Iso-Butyl-2-Methylbutyrate | ISOBUTYL-2-METHYLBUTYRATE | 2-Methylbutanoic acid 2-methyl propyl ester | Butyric aci
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Nombres e identificadores Sonrisas canónicas CCC(C)C(=O)OCC(C)C IUPAC Name 2-methylpropyl 2-methylbutanoate InChIKey NWZQCEQAPBRMFX-UHFFFAOYSA-N INCHI 1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3 Isómeros SMILES CCC(C)C(=O)OCC(C)C Peso molecular 158.24 Reaxy-Rn 1702548 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702548&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 Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid. External Descriptors Wax monoesters 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 inflamación (°C) 50.5ºC Punto de ebullición (°C) 165.2ºC Peso molecular 158.240 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 158.131 Da Monoisotopic Mass 158.131 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 119.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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