≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752359 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752359 |
| Canonical Smiles | C1CC(=O)CCC1=O |
| IUPAC Name | cyclohexane-1,4-dione |
| InChIKey | DCZFGQYXRKMVFG-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2 |
| Isomeric SMILES | C1CC(=O)CCC1=O |
| WGK Germany | 3 |
| Molecular Weight | 112.13 |
| Beilstein | 774152 |
| Reaxy-Rn | 774152 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774152&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 | cyclohexanedione |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2603118 | Certificate of Analysis | Apr 14, 2026 | C110959 |
| K21251036 | Certificate of Analysis | Sep 08, 2025 | C110959 |
| K21251037 | Certificate of Analysis | Sep 08, 2025 | C110959 |
| K2125969 | Certificate of Analysis | Sep 08, 2025 | C110959 |
| A1812048 | Certificate of Analysis | Aug 15, 2025 | C110959 |
| H2504014 | Certificate of Analysis | Aug 12, 2025 | C110959 |
| E2406340 | Certificate of Analysis | Mar 22, 2024 | C110959 |
| E2406341 | Certificate of Analysis | Mar 22, 2024 | C110959 |
| D2407062 | Certificate of Analysis | Dec 01, 2021 | C110959 |
| Solubility | Soluble in methanol and ethanol. |
|---|---|
| Sensitivity | air sensitive; light sensitive |
| Flash Point(°F) | 269.6 °F |
| Flash Point(°C) | 132℃ |
| Boil Point(°C) | 132°C/20mmHg |
| Melt Point(°C) | 76-78°C |
| Molecular Weight | 112.130 g/mol |
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.052 Da |
| Monoisotopic Mass | 112.052 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98.500 |
| 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. He Tiwei, Tang Hongchao, Wu Jie, Wang Jiaxuan, Zhang Mengling, Lu Cheng, Huang Hui, Zhong Jun, Cheng Tao, Liu Yang, Kang Zhenhui. (2024) A metal-free cascaded process for efficient H2O2 photoproduction using conjugated carbonyl sites. Nature Communications, 15 (1): (1-12). [PMID:39244619] [10.1038/s41467-024-52162-3] |
| 2. Liang Zhao, Yilan Zhang, Huai Chen, Tao Zeng, Zhenyu Yang. (2024) Two-Dimensional Lead Halide Perovskites with Spirocyclic Intercalating Cations. CHEMISTRY OF MATERIALS, [PMID:] [10.1021/acs.chemmater.4c01006] |
