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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items ethyl 1-methyl-2-oxo-cyclohexanecarboxylate - ≥97% , CAS No.5453-94-1
Synonyms
SCHEMBL875700 | AC9108 | AKOS015906570 | 1-methyl-2-cyclohexanonecarboxylic acid ethyl ester | DTXSID40280844 | DY-0001 | NSC18913 | NSC-18913 | racemic ethyl 1-methyl-2-oxo-cyclohexanecarboxylate | SY263468 | Cyclohexanecarboxylic acid, 1-methyl-2-oxo-,
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Why this grade ≥97% 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
SCHEMBL875700 | AC9108 | AKOS015906570 | 1-methyl-2-cyclohexanonecarboxylic acid ethyl ester | DTXSID40280844 | DY-0001 | NSC18913 | NSC-18913 | racemic ethyl 1-methyl-2-oxo-cyclohexanecarboxylate | SY263468 | Cyclohexanecarboxylic acid, 1-methyl-2-oxo-,
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCOC(=O)C1(CCCCC1=O)C IUPAC Name ethyl 1-methyl-2-oxocyclohexane-1-carboxylate InChIKey JPZANUHBLDNRJV-UHFFFAOYSA-N INCHI 1S/C10H16O3/c1-3-13-9(12)10(2)7-5-4-6-8(10)11/h3-7H2,1-2H3 Isómeros SMILES CCOC(=O)C1(CCCCC1=O)C CAS alternativo 5453-94-1 PubChem CID 227357 Número NSC 18913 Peso molecular 184.23
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 acids and derivatives Clase Carboxylic acids and derivatives Subclass Carboxylic acid derivatives Intermediate Tree Nodes Not available Direct Parent Carboxylic acid esters Alternative Parents Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 184.230 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 184.11 Da Monoisotopic Mass 184.11 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 222.000 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
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