≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | CC(=O)C1=C(C(=C(C(=C1O)C(=O)C)O)C(=O)C)O |
|---|---|
| IUPAC Name | 1-(3,5-diacetyl-2,4,6-trihydroxyphenyl)ethanone |
| InChIKey | YOQHLDOEJYEQRA-UHFFFAOYSA-N |
| INCHI | InChI=1S/C12H12O6/c1-4(13)7-10(16)8(5(2)14)12(18)9(6(3)15)11(7)17/h16-18H,1-3H3 |
| Isomeric SMILES | CC(=O)C1=C(C(=C(C(=C1O)C(=O)C)O)C(=O)C)O |
| PubChem CID | 824901 |
| Molecular Weight | 252.22 |
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 - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acylphloroglucinols and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acylphloroglucinol derivative - Phloroglucinol derivative - Benzenetriol - Acetophenone - Aryl alkyl ketone - Benzoyl - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Polyol - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 |
|---|---|---|---|
 J2515611 | Certificate of Analysis | Sep 20, 2025 | T330657 |
| J2515720 | Certificate of Analysis | Sep 20, 2025 | T330657 |
| D2428562 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428563 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428564 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428565 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428566 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428569 | Certificate of Analysis | Apr 18, 2024 | T330657 |
| Solubility | Soluble in Ethanol, Methanol and Toluene |
|---|---|
| Melt Point(°C) | 145-147° C |
| Molecular Weight | 252.220 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.063 Da |
| Monoisotopic Mass | 252.063 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |
