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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,6-Dimethyl-2,5-heptadien-4-one - ≥98% , CAS No.504-20-1
Synonyms
AMY13323 | NCGC00248921-01 | BRN 1699751 | F12420 | s-Diisopropylidene acetone | Diisobutenyl ketone | NSC38718 | NSC-38718 | Phoron [German] | UNII-8F20OEI0MV | A871568 | CAS-504-20-1 | FT-0698485 | NSC 38718 | Tox21_201097 | AI3-00047 | GS-4453 | EN300-
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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.
Descripción general Diisopropylidene Acetone is a reagent used in the preparation of biaryls by Suzuki-Miyaura cross coupling reaction.
Specifications Sinónimos
AMY13323 | NCGC00248921-01 | BRN 1699751 | F12420 | s-Diisopropylidene acetone | Diisobutenyl ketone | NSC38718 | NSC-38718 | Phoron [German] | UNII-8F20OEI0MV | A871568 | CAS-504-20-1 | FT-0698485 | NSC 38718 | Tox21_201097 | AI3-00047 | GS-4453 | EN300-
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504751947 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751947 Sonrisas canónicas CC(=CC(=O)C=C(C)C)C IUPAC Name 2,6-dimethylhepta-2,5-dien-4-one InChIKey MTZWHHIREPJPTG-UHFFFAOYSA-N INCHI 1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3 Isómeros SMILES CC(=CC(=O)C=C(C)C)C Número ONU 1993 Grupo de embalaje I Peso molecular 138.2 Reaxy-Rn 1699751 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699751&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 Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones Direct Parent Enones Alternative Parents Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'. External Descriptors dialkenyl ketone 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 (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Chloroform (Slightly), Methanol (Slightly) Índice de refracción 1.497 Punto de inflamación (°F) 175 °F Punto de inflamación (°C) 79 ºC Punto de ebullición (°C) 198-199 °C Punto de fusión (°C) 23-26 °C Peso molecular 138.210 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 138.104 Da Monoisotopic Mass 138.104 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 157.000 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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