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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Isobutyrylcyclohexanone (total of isomers) - ≥96% , CAS No.39207-65-3
Synonyms
2-(2-Methyl-1-oxopropyl)cyclohexanone | 2-Isobutyrylcyclohexanone, 96% | 2-Isobutyrylcyclohexanone, 96% (~96% enol form) | Cyclohexanone, 2-(2-methyl-1-oxopropyl)- | SC11822 | BP-21288 | SCHEMBL900888 | AKOS012624058 | EN300-1126796 | 2-Isobutyrylcyclohex
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Why this grade ≥96% 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
2-(2-Methyl-1-oxopropyl)cyclohexanone | 2-Isobutyrylcyclohexanone, 96% | 2-Isobutyrylcyclohexanone, 96% (~96% enol form) | Cyclohexanone, 2-(2-methyl-1-oxopropyl)- | SC11822 | BP-21288 | SCHEMBL900888 | AKOS012624058 | EN300-1126796 | 2-Isobutyrylcyclohex
Specifications & Purity
≥96%
Names and Identifiers Pubchem Sid 488197530 Canonical Smiles CC(C)C(=O)C1CCCCC1=O IUPAC Name 2-(2-methylpropanoyl)cyclohexan-1-one InChIKey PFOYYSGBGILOQZ-UHFFFAOYSA-N INCHI 1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3 Isomeric SMILES CC(C)C(=O)C1CCCCC1=O WGK Germany 3 Molecular Weight 168.23 Reaxy-Rn 2438825 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438825&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 1,3-dicarbonyl compounds Direct Parent Beta-diketones Alternative Parents Cyclic ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. 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 Flash Point(°F) 219.2 °F Flash Point(°C) 104 °C Boil Point(°C) 64 °C/0.1 mmHg Molecular Weight 168.230 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 168.115 Da Monoisotopic Mass 168.115 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 194.000 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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