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Basic Description
| Synonyms | EN300-20182 | F0001-1522 | Q20968563 | AKOS016352943 | FS-4895 | Sexton B | 2-methylcyclohexane-1-one | 2-Methyl-1-cyclohexanone | 2-Metilcicloesanone | J-510048 | 2-METHYLCYCLOHEXANONE [FHFI] | FEMA NO. 3946 | Methylanon | NSC524 | NSC-524 | 2-Methylcycl |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
2-Methylcyclohexanone is a cyclic ketone that is reported to occur in mint[1] and horse chestnut. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Cyclic ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
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Associated Targets(Human)
CA2
Tclin
Carbonic anhydrase 2 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
CA2
Tclin
Carbonic anhydrase II (17698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA6
Tclin
Carbonic anhydrase VI (993 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA1
Tclin
Carbonic anhydrase I (13240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488181334 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181334 |
| IUPAC Name | 2-methylcyclohexan-1-one |
| INCHI | InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3 |
| InChIKey | LFSAPCRASZRSKS-UHFFFAOYSA-N |
| Smiles | CC1CCCCC1=O |
| Isomeric SMILES | CC1CCCCC1=O |
| WGK Germany | 1 |
| RTECS | GW1750000 |
| UN Number | 2297 |
| Packing Group | III |
| Molecular Weight | 112.17 |
| Beilstein | 506751 |
| Reaxy-Rn | 506751 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506751&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2501440 |
Certificate of Analysis | Jun 26, 2024 | M100791 |
| J2326472 |
Certificate of Analysis | Oct 17, 2023 | M100791 |
| J2326473 |
Certificate of Analysis | Oct 17, 2023 | M100791 |
| K2427187 |
Certificate of Analysis | Oct 17, 2023 | M100791 |
| B2328593 |
Certificate of Analysis | Feb 20, 2023 | M100791 |
| B2328448 |
Certificate of Analysis | Feb 20, 2023 | M100791 |
| B2328459 |
Certificate of Analysis | Feb 20, 2023 | M100791 |
| D2318190 |
Certificate of Analysis | Feb 20, 2023 | M100791 |
Chemical and Physical Properties
| Solubility | Insoluble in water. Soluble in methanol and diethyl ether. |
|---|---|
| Refractive Index | 1.448 |
| Flash Point(°F) | 118.4℉ |
| Flash Point(°C) | 48°C |
| Boil Point(°C) | 162-163°C |
| Melt Point(°C) | -14°C |
| Molecular Weight | 112.170 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.089 Da |
| Monoisotopic Mass | 112.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 96.600 |
| 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 |
Citations of This Product
| 1. Hong Jiang, Hang Zhu, Zhenchen Tang, Jiuxuan Zhang, Zhengyan Qu, Weihong Xing, Rizhi Chen. (2024) Experimental and Kinetic Model for Enhanced Liquid-Phase Hydrogenation of o-Cresol in a Distributor-Type Multichannel Ceramic Membrane Reactor. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 63 (40): (17134-17147). |
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