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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(p-Tolyl)cyclohexanone - ≥98% , CAS No.40503-90-0
Synonyms
4-p-Tolyl cyclohexanone | T3418 | SCHEMBL3533675 | 4-(p-Tolyl)cyclohexan-1-one | MFCD14584461 | EN300-333387 | 4-(4-Methylphenyl)cyclohexan-1-one | DTXSID50561550 | AKOS015917451 | A873320 | SB66525 | 4-(p-Tolyl)cyclohexanone, >/=98% | AS-60595 | s10247 |
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Why this grade ≥98% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-p-Tolyl cyclohexanone | T3418 | SCHEMBL3533675 | 4-(p-Tolyl)cyclohexan-1-one | MFCD14584461 | EN300-333387 | 4-(4-Methylphenyl)cyclohexan-1-one | DTXSID50561550 | AKOS015917451 | A873320 | SB66525 | 4-(p-Tolyl)cyclohexanone, >/=98% | AS-60595 | s10247 |
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles
CC1=CC=C(C=C1)C2CCC(=O)CC2
IUPAC Name
4-(4-methylphenyl)cyclohexan-1-one
InChIKey
XDHMORMQXOUOHT-UHFFFAOYSA-N
INCHI
1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3
Isomeric SMILES
CC1=CC=C(C=C1)C2CCC(=O)CC2
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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✅ 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 Class Benzene and substituted derivatives Subclass Toluenes Intermediate Tree Nodes Not available Direct Parent Toluenes Alternative Parents Cyclic ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Toluene - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 51 °C Molecular Weight 188.260 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 188.12 Da Monoisotopic Mass 188.12 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 191.000 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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