| Pubchem Sid | 488181129 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181129 |
| Sonrisas canónicas | C1CCCC(=O)CC1 |
| IUPAC Name | cycloheptanone |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
| Isómeros SMILES | C1CCCC(=O)CC1 |
| WGK Alemania | 3 |
| RTECS | GU3325000 |
| Número ONU | 1224 |
| Grupo de embalaje | III |
| Peso molecular | 112.17 |
| Beilstein | 969823 |
| Reaxy-Rn | 969823 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969823&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 |
| Clase | 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 |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 F2603336 | Certificate of Analysis | May 26, 2026 | C111127 |
| F2603337 | Certificate of Analysis | May 26, 2026 | C111127 |
| F2603338 | Certificate of Analysis | May 26, 2026 | C111127 |
| F2228164 | Certificate of Analysis | Apr 02, 2026 | C111127 |
| F2228167 | Certificate of Analysis | Apr 02, 2026 | C111127 |
| F2228168 | Certificate of Analysis | Apr 02, 2026 | C111127 |
| J2524046 | Certificate of Analysis | Nov 03, 2025 | C111127 |
| H2110134 | Certificate of Analysis | May 12, 2025 | C111127 |
| H2110135 | Certificate of Analysis | May 12, 2025 | C111127 |
| H2110387 | Certificate of Analysis | May 12, 2025 | C111127 |
| H2110388 | Certificate of Analysis | May 12, 2025 | C111127 |
| C23211030 | Certificate of Analysis | Jun 09, 2022 | C111127 |
| C23211031 | Certificate of Analysis | Jun 09, 2022 | C111127 |
| C23211032 | Certificate of Analysis | Jun 09, 2022 | C111127 |
| I2321020 | Certificate of Analysis | Jun 09, 2022 | C111127 |
| Solubilidad | It is insoluble in water |
|---|---|
| Índice de refracción | 1.461 |
| Punto de inflamación (°F) | 132.8 °F |
| Punto de inflamación (°C) | 56°C(lit.) |
| Punto de ebullición (°C) | 180°C |
| Punto de fusión (°C) | -21°C |
| Peso molecular | 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 | 76.400 |
| 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. Mengyang Liu, Bin Gu, Jingmei Li, Huangzhao Wei, Weiyang Xue, Yukun Jiang, Chenglin Sun. (2023) Synergistic Effect Enhancing Baeyer-Villiger Oxidation Performance of Resin-Derived-Carbon Supported FeCe Bimetallic Catalyst. ChemCatChem, 15 (21): (e202300852). [PMID:] [10.1002/cctc.202300852] |
| 2. Qianchun Zhang, Qin Zhou, Yun Wu, Yanxin Li, Fengling Tian, Shan Tang, Li Jiang. (2022) Enhanced cataluminescence sensing of MIL-53(Al)/Sb2SnO5 composites for isobutanol detection. MEASUREMENT SCIENCE and TECHNOLOGY, 34 (2): (025106). [PMID:] [10.1088/1361-6501/ac9d58] |
| 3. Bing Xia, Yuanji Gao, Baocheng Ji, Fengwei Ma, Lisheng Ding, Yan Zhou. (2018) Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, [PMID:29372550] [10.1007/s13361-017-1873-y] |
| 4. Qianchun Zhang, Xixi Long, Shan Tang, Li Jiang, Zhaoru Ban, Yanju Chen, Runkun Zhang. (2024) Enhanced Cataluminescence Sensor Based on SiO2/MIL-53(Al) for Detecting Isobutylaldehyde. MOLECULES, [PMID:39064866] [10.3390/molecules29143287] |
| 5. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang. (2024) Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.4c02931] |
