≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
Description
The product has been used in the chelation of aqueous iron(III) that is present in alcoholic drinks, such as wine and beer. It affects beer fermentation, stability and quality. It has also been used to evaluate mesotrione assay specificity as its structure is similar to mesotrione (a triketone herbicide).
| Pubchem Sid | 488187987 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187987 |
| Canonical Smiles | CC(=O)C1C(=O)CCCC1=O |
| IUPAC Name | 2-acetylcyclohexane-1,3-dione |
| InChIKey | CHNXDYRMRBQOEF-UHFFFAOYSA-N |
| INCHI | 1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h8H,2-4H2,1H3 |
| Isomeric SMILES | CC(=O)C1C(=O)CCCC1=O |
| WGK Germany | 3 |
| Molecular Weight | 154.16 |
| Reaxy-Rn | 1942617 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942617&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 | 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 |
|---|---|---|---|
 E2327828 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| E2327829 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| E2327830 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| E2327831 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| E2327832 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| E2327833 | Certificate of Analysis | Mar 11, 2026 | A472443 |
| Flash Point(°F) | >235.4 °F |
|---|---|
| Flash Point(°C) | >113 °C |
| Boil Point(°C) | 85 °C/0.1 mmHg |
| Melt Point(°C) | 20 °C |
| Molecular Weight | 154.160 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.063 Da |
| Monoisotopic Mass | 154.063 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 201.000 |
| 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 |
