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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) - ≥95% , CAS No.3419-32-7
Synonyms
DTXSID30338500 | E0646 | Ethyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate | ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate | ethyl 6-methyl-2-oxocyclohex-3-ene-1-car-boxylate | Ethyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate | ethyl 6-methyl-2-oxocycloh
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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 Synonyms
DTXSID30338500 | E0646 | Ethyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate | ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate | ethyl 6-methyl-2-oxocyclohex-3-ene-1-car-boxylate | Ethyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate | ethyl 6-methyl-2-oxocycloh
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CCOC(=O)C1C(CC=CC1=O)C IUPAC Name ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate InChIKey CFQIYLYEYJYZEO-UHFFFAOYSA-N INCHI 1S/C10H14O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4,6-7,9H,3,5H2,1-2H3 Isomeric SMILES CCOC(=O)C1C(CC=CC1=O)C Molecular Weight 182.22 Beilstein 10(3)2899 Reaxy-Rn 1870539 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870539&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 Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Cyclic ketones Direct Parent Cyclohexenones Alternative Parents 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclohexenone - 1,3-dicarbonyl compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.48 Flash Point(°C) 113 °C Boil Point(°C) 110°C/6 mmHg Molecular Weight 182.220 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 182.094 Da Monoisotopic Mass 182.094 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 243.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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