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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one - ≥97% , CAS No.26103-97-9
Synonyms
1-Butanone, 3-methyl-1-(2,4,6-trihydroxyphenyl)- | NCGC00385687-01!3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one | SCHEMBL6276169 | 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone | C07350 | A937794 | 2,4,6-Trihydroxyisovalerophenone | phlorisovaleropheno
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Why this grade ≥97% 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.
Specifications Sinónimos
1-Butanone, 3-methyl-1-(2, 4, 6-trihydroxyphenyl)- | NCGC00385687-01!3-methyl-1-(2, 4, 6-trihydroxyphenyl)butan-1-one | SCHEMBL6276169 | 3-Methyl-1-(2, 4, 6-trihydroxyphenyl)-1-butanone | C07350 | A937794 | 2, 4, 6-Trihydroxyisovalerophenone | phlorisovaleropheno
Especificaciones y pureza
≥97%
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 Sonrisas canónicas CC(C)CC(=O)C1=C(C=C(C=C1O)O)O IUPAC Name 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one InChIKey VSDWHZGJGWMIRN-UHFFFAOYSA-N INCHI 1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3 Isómeros SMILES CC(C)CC(=O)C1=C(C=C(C=C1O)O)O PubChem CID 441269 Peso molecular 210.23
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 Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Acylphloroglucinols and derivatives Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Acylphloroglucinol derivative - Butyrophenone - Benzenetriol - Phloroglucinol derivative - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Polyol - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors a secondary metabolite 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 Punto de fusión (°C) 146-148° C Peso molecular 210.230 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 210.089 Da Monoisotopic Mass 210.089 Da Topological Polar Surface Area 77.800 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 215.000 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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