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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,5-Hexanedione - analytical standard, ≥99.5%(GC) , CAS No.110-13-4
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.5%(GC) Synonyms
2,5-Hexadione | 2,5-Dioxohexane | alpha,beta-Diacetylethane | A802149 | Hexanedione-(2,5) | BBL027731 | InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H | H0101 | hexan-2,5-dione | EN300-19144 | EINECS 203-738-3 | LMFA12000081 | NCGC00258172-01 | AKOS00011900
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Why this grade analytical standard, ≥99.5%(GC) Analytical standard 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
2,5-Hexadione | 2,5-Dioxohexane | alpha,beta-Diacetylethane | A802149 | Hexanedione-(2,5) | BBL027731 | InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H | H0101 | hexan-2,5-dione | EN300-19144 | EINECS 203-738-3 | LMFA12000081 | NCGC00258172-01 | AKOS00011900
Especificaciones y pureza
analytical standard, ≥99.5%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528755593
Sonrisas canónicas
CC(=O)CCC(=O)C
IUPAC Name
hexane-2,5-dione
InChIKey
OJVAMHKKJGICOG-UHFFFAOYSA-N
INCHI
1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
Isómeros SMILES
CC(=O)CCC(=O)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506525&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 oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Not available Direct Parent Ketones Alternative Parents Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. External Descriptors Oxygenated hydrocarbons 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Easily soluble in water and most organic solvents. Índice de refracción 1.425 Punto de inflamación (°F) 174.2 ℉ Punto de inflamación (°C) 79 ℃ Punto de ebullición (°C) 191°C Punto de fusión (°C) -6--5°C Peso molecular 114.140 g/mol XLogP3 -0.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 114.068 Da Monoisotopic Mass 114.068 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 91.100 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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