| Pubchem Sid | 488193162 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193162 |
| Sonrisas canónicas | CCOC(=O)CC(=O)C1=CC=CC=C1C |
| IUPAC Name | ethyl 3-(2-methylphenyl)-3-oxopropanoate |
| InChIKey | UNULPFKXRJPSCO-UHFFFAOYSA-N |
| INCHI | 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
| Isómeros SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1C |
| WGK Alemania | 3 |
| Peso molecular | 206.24 |
| Reaxy-Rn | 2105952 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2105952&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 |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones Toluenes Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Toluene - Beta-keto acid - Fatty acid ester - 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 |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 I2206558 | Certificate of Analysis | Jun 15, 2026 | E156053 |
| I2206563 | Certificate of Analysis | Jun 15, 2026 | E156053 |
| I2206564 | Certificate of Analysis | Jun 15, 2026 | E156053 |
| G2212105 | Certificate of Analysis | Apr 07, 2026 | E156053 |
| G2212104 | Certificate of Analysis | Apr 07, 2026 | E156053 |
| F1905024 | Certificate of Analysis | Mar 16, 2023 | E156053 |
| Índice de refracción | 1.53 |
|---|---|
| Punto de inflamación (°C) | 122 °C |
| Punto de ebullición (°C) | 110°C/0.8mmHg(lit.) |
| Peso molecular | 206.240 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.094 Da |
| Monoisotopic Mass | 206.094 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| 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 |
