≥95% 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 | 488189324 |
|---|---|
| Canonical Smiles | CCOC(=O)CC(=O)C1=CC=CC=C1Cl |
| IUPAC Name | ethyl 3-(2-chlorophenyl)-3-oxopropanoate |
| InChIKey | DLFBNTUSDQSFOF-UHFFFAOYSA-N |
| INCHI | 1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3 |
| Isomeric SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1Cl |
| WGK Germany | 3 |
| Molecular Weight | 226.66 |
| Reaxy-Rn | 980642 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=980642&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 | Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Chlorobenzenes Beta-keto acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - 1,3-dicarbonyl compound - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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 |
|---|---|---|---|
 G2312229 | Certificate of Analysis | Apr 07, 2026 | E191804 |
| L2208424 | Certificate of Analysis | Sep 04, 2025 | E191804 |
| L2207284 | Certificate of Analysis | Sep 04, 2025 | E191804 |
| J1922049 | Certificate of Analysis | May 12, 2025 | E191804 |
| I2414151 | Certificate of Analysis | Sep 28, 2024 | E191804 |
| K2315131 | Certificate of Analysis | Aug 12, 2022 | E191804 |
| Refractive Index | 1.54 |
|---|---|
| Boil Point(°C) | 221-222 °C |
| Molecular Weight | 226.650 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 226.04 Da |
| Monoisotopic Mass | 226.04 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |
