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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate - ≥98.5% , CAS No.6846-50-0
Synonyms
E82998 | 2,2,4-TRIMETHYLPENTANE-1,3-DIOL DIISOBUTYRATE | 3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate # | NCGC00260003-01 | (R)-?-(p-methylphenyl)alanine | 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, >=98.5% | 4KZA479DWQ | DTXSID
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Why this grade ≥98.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
E82998 | 2, 2, 4-TRIMETHYLPENTANE-1, 3-DIOL DIISOBUTYRATE | 3-(Isobutyryloxy)-1-isopropyl-2, 2-dimethylpropyl 2-methylpropanoate # | NCGC00260003-01 | (R)-?-(p-methylphenyl)alanine | 2, 2, 4-Trimethyl-1, 3-pentanediol diisobutyrate, >=98.5% | 4KZA479DWQ | DTXSID
Especificaciones y pureza
≥98.5%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488182813 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182813 Sonrisas canónicas CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C IUPAC Name [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate InChIKey OMVSWZDEEGIJJI-UHFFFAOYSA-N INCHI 1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 Isómeros SMILES CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C WGK Alemania 1 RTECS SA1420000 PubChem CID 23284 Peso molecular 286.41 Reaxy-Rn 1878083
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 Carboxylic acids and derivatives Subclass Dicarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Dicarboxylic acids and derivatives Alternative Parents Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Insoluble in water; Degree of Solubility in water: 0.42 g/l 20 °C Índice de refracción 1.434 Punto de inflamación (°F) 276.8 °F Punto de inflamación (°C) 113 °C Punto de ebullición (°C) 280°C Punto de fusión (°C) -70°C Peso molecular 286.410 g/mol XLogP3 4.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 9 Exact Mass 286.214 Da Monoisotopic Mass 286.214 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 329.000 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
Preguntas frecuentes y artículos Citations of This Product Referencias 1. Huanhuan Chen, Liping Chen, Wenqian Wu, Zichao Guo, Xiaoqiao Zhao, Wanghua Chen. (2021) Adiabatic kinetics calculations considering pressure data. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, [PMID: [10.1016/j.psep.2021.11.036 ]
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