≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752152 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752152 |
| Canonical Smiles | CC1CCC(=O)CC1 |
| IUPAC Name | 4-methylcyclohexan-1-one |
| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3 |
| Isomeric SMILES | CC1CCC(=O)CC1 |
| WGK Germany | 2 |
| RTECS | GW1575000 |
| UN Number | 2297 |
| Packing Group | III |
| Molecular Weight | 112.17 |
| Reaxy-Rn | 506746 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506746&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2115319 | Certificate of Analysis | Apr 03, 2025 | M113653 |
| I2529332 | Certificate of Analysis | Apr 27, 2024 | M113653 |
| I2529513 | Certificate of Analysis | Apr 27, 2024 | M113653 |
| C2404428 | Certificate of Analysis | Feb 23, 2024 | M113653 |
| C2404432 | Certificate of Analysis | Feb 23, 2024 | M113653 |
| C2404434 | Certificate of Analysis | Feb 23, 2024 | M113653 |
| C2404500 | Certificate of Analysis | Feb 23, 2024 | M113653 |
| Refractive Index | 1.446 |
|---|---|
| Flash Point(°F) | 48 °C |
| Flash Point(°C) | 48°C |
| Boil Point(°C) | 167-169°C |
| Molecular Weight | 112.170 g/mol |
| XLogP3 | 1.400 |
| 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 | 86.600 |
| 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 |
| 1. Yixiang Li, Yajun Bai, Tai-Ping Fan, Xiaohui Zheng, Yujie Cai. (2021) Characterization of a putative tropinone reductase from Tarenaya hassleriana with a broad substrate specificity. BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY, 69 (6): (2530-2539). [PMID:34902878] [10.1002/bab.2302] |
