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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,6-Di-tert-butyl-4-methylcyclohexanone (mixture of isomers) - ≥95%(GC) , CAS No.23790-39-8
Synonyms
Cyclohexanone,2,6-bis(1,1-dimethylethyl)-4-methyl- | SCHEMBL6438979 | BS-52287 | D4385 | NSC22256 | NSC-22256 | DTXSID70281627 | 2,6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE | 2,6-ditert-butyl-4-methylcyclohexan-1-one | MFCD27976821 | T70616 | 2,6-di-tert-b
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Why this grade ≥95%(GC) 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
Cyclohexanone, 2, 6-bis(1, 1-dimethylethyl)-4-methyl- | SCHEMBL6438979 | BS-52287 | D4385 | NSC22256 | NSC-22256 | DTXSID70281627 | 2, 6-DI-TERT-BUTYL-4-METHYLCYCLOHEXAN-1-ONE | 2, 6-ditert-butyl-4-methylcyclohexan-1-one | MFCD27976821 | T70616 | 2, 6-di-tert-b
Specifications & Purity
≥95%(GC)
Names and Identifiers Pubchem Sid 488188795 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188795 Canonical Smiles CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C IUPAC Name 2,6-ditert-butyl-4-methylcyclohexan-1-one InChIKey LDPDMUPXRDWOPE-UHFFFAOYSA-N INCHI 1S/C15H28O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-12H,8-9H2,1-7H3 Isomeric SMILES CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C Molecular Weight 224.39 Reaxy-Rn 3248525 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3248525&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 Lipids and lipid-like molecules Class Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Monocyclic monoterpenoids Alternative Parents Cyclic ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Monocyclic monoterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. 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 1.46 Flash Point(°C) 119 °C Boil Point(°C) 134°C/20mmHg(lit.) Molecular Weight 224.380 g/mol XLogP3 4.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 224.214 Da Monoisotopic Mass 224.214 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 238.000 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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