≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Pubchem Sid | 504759429 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759429 |
| Canonical Smiles | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C |
| IUPAC Name | ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate |
| InChIKey | QQMYOPVSVNPECO-UHFFFAOYSA-N |
| INCHI | 1S/C13H14O4/c1-3-17-13(16)12(15)8-11(14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C |
| Molecular Weight | 234.25 |
| Reaxy-Rn | 2729249 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2729249&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 - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Gamma-keto acid - 1,3-diketone - Toluene - Fatty acid ester - Alpha-keto acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - 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 |
|---|---|---|---|
 H2330256 | Certificate of Analysis | Jun 09, 2026 | E194050 |
| H2330257 | Certificate of Analysis | Jun 09, 2026 | E194050 |
| H2330259 | Certificate of Analysis | Jun 09, 2026 | E194050 |
| H2330304 | Certificate of Analysis | Jun 09, 2026 | E194050 |
| H2330305 | Certificate of Analysis | Jun 09, 2026 | E194050 |
| H2330258 | Certificate of Analysis | Sep 11, 2023 | E194050 |
| Molecular Weight | 234.250 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 234.089 Da |
| Monoisotopic Mass | 234.089 Da |
| Topological Polar Surface Area | 60.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |
