≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated,Cool Ships Normal 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.
| Canonical Smiles | CC1=CC(=O)[C-](C(=O)O1)C(=O)C.O.[Na+] |
|---|---|
| IUPAC Name | sodium;3-acetyl-6-methylpyran-3-ide-2,4-dione;hydrate |
| InChIKey | AFIQQQWSAQPUQO-UHFFFAOYSA-N |
| INCHI | 1S/C8H7O4.Na.H2O/c1-4-3-6(10)7(5(2)9)8(11)12-4;;/h3H,1-2H3;;1H2/q-1;+1; |
| Isomeric SMILES | CC1=CC(=O)[C-](C(=O)O1)C(=O)C.O.[Na+] |
| WGK Germany | 3 |
| RTECS | UP8225000 |
| Molecular Weight | 208.14 |
| Beilstein | 4893653 |
| Reaxy-Rn | 31320394 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31320394&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 - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyranones and derivatives Heteroaromatic compounds Lactones Cyclic ketones Oxacyclic compounds Enolates Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Pyranone - Pyran - Heteroaromatic compound - Lactone - Cyclic ketone - Enolate - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic oxide - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| 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 |
|---|---|---|---|
 A1414056 | Certificate of Analysis | Nov 10, 2025 | D101398 |
| G2514203 | Certificate of Analysis | Jul 24, 2025 | D101398 |
| C2323864 | Certificate of Analysis | Jan 02, 2023 | D101398 |
| C2323882 | Certificate of Analysis | Jan 02, 2023 | D101398 |
| C2323945 | Certificate of Analysis | Jan 02, 2023 | D101398 |
| C2323955 | Certificate of Analysis | Jan 02, 2023 | D101398 |
| A1917144 | Certificate of Analysis | Nov 15, 2022 | D101398 |
| Sensitivity | Moisture Sensitive |
|---|---|
| Flash Point(°F) | 88℉ |
| Flash Point(°C) | 31.11℃ |
| Melt Point(°C) | 295°C |
| Molecular Weight | 208.140 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 208.035 Da |
| Monoisotopic Mass | 208.035 Da |
| Topological Polar Surface Area | 61.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 | 3 |
