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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-[3,4-(Ethylenedioxy)phenyl]-4-oxobutyric acid - ≥95% , CAS No.54557-81-2
Synonyms
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic acid | A-oxo-1,4-benzodioxin-6-butanoic acid | BDBM50371171 | Z56886602 | 4-[3,4-(Ethylenedioxy)Phenyl]-4-Oxobutyric Acid | FT-0616492 | 2,3-Dihydro- | SCHEMBL1443787 | 4-(2,3-dihydro-1,4-benzodioxin-6
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Why this grade ≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
4-(2, 3-Dihydrobenzo[b][1, 4]dioxin-6-yl)-4-oxobutanoic acid | A-oxo-1, 4-benzodioxin-6-butanoic acid | BDBM50371171 | Z56886602 | 4-[3, 4-(Ethylenedioxy)Phenyl]-4-Oxobutyric Acid | FT-0616492 | 2, 3-Dihydro- | SCHEMBL1443787 | 4-(2, 3-dihydro-1, 4-benzodioxin-6
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504761541 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761541 Sonrisas canónicas C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O IUPAC Name 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid InChIKey LMDXEMFSAHAGGP-UHFFFAOYSA-N INCHI 1S/C12H12O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1,3,7H,2,4-6H2,(H,14,15) Isómeros SMILES C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O Peso molecular 236.2 Reaxy-Rn 264439 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=264439&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 Benzenoids Clase Benzene and substituted derivatives Subclass Butyrophenones Intermediate Tree Nodes Not available Direct Parent Butyrophenones Alternative Parents Benzo-1,4-dioxanes Gamma-keto acids and derivatives Aryl alkyl ketones Alkyl aryl ethers Para dioxins Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Butyrophenone - Benzo-1,4-dioxane - Benzodioxane - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Para-dioxin - Keto acid - Ketone - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety. 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 236.220 g/mol XLogP3 0.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 236.068 Da Monoisotopic Mass 236.068 Da Topological Polar Surface Area 72.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 301.000 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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