≥97% 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.
Natural occurrence: Peppermint oil, cornmint oil, penny royal oil, buchu oil and heater beef fat.3-Methylcyclohexanone may be used as a reference standard for the identification and quantification of volatile components of essential oils of Passiflora hybrids by gas chromatography/flame ionization detector (GC/FID)
| Pubchem Sid | 488181382 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181382 |
| Sourires canoniques | CC1CCCC(=O)C1 |
| IUPAC Name | 3-methylcyclohexan-1-one |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| Isomères SMILES | CC1CCCC(=O)C1 |
| WGK Allemagne | 3 |
| RTECS | GW1750100 |
| Poids moléculaire | 112.17 |
| Beilstein | 969804 |
| Reaxy-Rn | 969804 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969804&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 |
| Classe | 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 | Article |
|---|---|---|---|
 K2115091 | Certificate of Analysis | Aug 13, 2025 | M117710 |
| F2524658 | Certificate of Analysis | Jun 04, 2025 | M117710 |
| F2524684 | Certificate of Analysis | Jun 04, 2025 | M117710 |
| G2607068 | Certificate of Analysis | Jun 04, 2025 | M117710 |
| L2502018 | Certificate of Analysis | Jun 04, 2025 | M117710 |
| J2425632 | Certificate of Analysis | Jul 01, 2024 | M117710 |
| H2006090 | Certificate of Analysis | May 09, 2024 | M117710 |
| D2319368 | Certificate of Analysis | Jun 22, 2022 | M117710 |
| D2319369 | Certificate of Analysis | Jun 22, 2022 | M117710 |
| G2220901 | Certificate of Analysis | Jun 22, 2022 | M117710 |
| G2220902 | Certificate of Analysis | Jun 22, 2022 | M117710 |
| G2220903 | Certificate of Analysis | Jun 22, 2022 | M117710 |
| Solubilité | Insoluble in water, soluble in ether and alcohol |
|---|---|
| Indice de réfraction | 1.44 |
| Point d'éclair (°F) | 118.4 °F |
| Point d'éclair (°C) | 48 °C |
| Point d'ébullition (°C) | 169°C |
| Poids moléculaire | 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 | 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 |
| 1. Chao Li, Huiying Wan, Xinlong Wu, Jiaxin Yin, Limin Zhu, Hanjiang Chen, Xinbo Song, Lifeng Han, Wenzhi Yang, Heshui Yu, Zheng Li. (2022) Discrimination and Characterization of the Volatile Organic Compounds in Schizonepetae Spica from Six Regions of China Using HS-GC-IMS and HS-SPME-GC-MS. MOLECULES, 27 (14): (4393). [PMID:35889268] [10.3390/molecules27144393] |
