≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504762829 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762829 |
| Canonical Smiles | C1CCC(=O)CC(=O)C1 |
| IUPAC Name | cycloheptane-1,3-dione |
| InChIKey | DBOVMTXPZWVYAQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2 |
| Isomeric SMILES | C1CCC(=O)CC(=O)C1 |
| WGK Germany | 3 |
| PubChem CID | 4072367 |
| Molecular Weight | 126.15 |
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 | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. |
| 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 |
|---|---|---|---|
 J2524138 | Certificate of Analysis | Oct 28, 2025 | W134267 |
| G2502072 | Certificate of Analysis | Jul 07, 2025 | W134267 |
| K2124155 | Certificate of Analysis | Sep 19, 2023 | W134267 |
| K2124156 | Certificate of Analysis | Sep 19, 2023 | W134267 |
| K2124157 | Certificate of Analysis | Sep 19, 2023 | W134267 |
| K2124169 | Certificate of Analysis | Sep 19, 2023 | W134267 |
| Solubility | Soluble in water (5.5 g/100 g), and dimethyl formamide (DMF) |
|---|---|
| Sensitivity | air sensitive |
| Refractive Index | 1.49 |
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | >110 °C |
| Boil Point(°C) | 122 °C/10 mmHg |
| Molecular Weight | 126.150 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.068 Da |
| Monoisotopic Mass | 126.068 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| 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 |
