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3-(2,6-Dimethylphenyl)cyclohexanone , CAS No.486397-33-5
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Verschickt in
Normal
Namen und Kennungen
| Kanonisches Lächeln | CC1=C(C(=CC=C1)C)C2CCCC(=O)C2 |
|---|---|
| IUPAC Name | 3-(2,6-dimethylphenyl)cyclohexan-1-one |
| InChIKey | GSXZEDJTHRQYOR-UHFFFAOYSA-N |
| INCHI | 1S/C14H18O/c1-10-5-3-6-11(2)14(10)12-7-4-8-13(15)9-12/h3,5-6,12H,4,7-9H2,1-2H3 |
| Isomere SMILES | CC1=C(C(=CC=C1)C)C2CCCC(=O)C2 |
| PubChem CID | 24723962 |
| Molekulargewicht | 202.3 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Klasse Benzene and substituted derivatives
- Subclass Xylenes
- Klasse Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Klasse | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | m-Xylenes |
| Alternative Parents | Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-xylene - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions. |
| External Descriptors | Not available |
3D-Struktur
Interaktives chemisches Strukturmodell
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
| Molekulargewicht | 202.290 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.136 Da |
| Monoisotopic Mass | 202.136 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
Lösungsrechner
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