| Pubchem Sid | 488193163 |
|---|---|
| Canonical Smiles | CCOC(=O)CC(=O)C1=CC=CC(=C1)C |
| IUPAC Name | ethyl 3-(3-methylphenyl)-3-oxopropanoate |
| InChIKey | LLFKVNDSLHMEQC-UHFFFAOYSA-N |
| INCHI | 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)CC(=O)C1=CC=CC(=C1)C |
| WGK Germany | 3 |
| Molecular Weight | 206.24 |
| Reaxy-Rn | 976548 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=976548&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 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 |
| 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 |
|---|---|---|---|
 D2312141 | Certificate of Analysis | Jan 20, 2026 | E169625 |
| D2026034 | Certificate of Analysis | Nov 10, 2025 | E169625 |
| L2213290 | Certificate of Analysis | Sep 17, 2025 | E169625 |
| L2213291 | Certificate of Analysis | Sep 17, 2025 | E169625 |
| L2213320 | Certificate of Analysis | Sep 17, 2025 | E169625 |
| L2213367 | Certificate of Analysis | Sep 17, 2025 | E169625 |
| L2213383 | Certificate of Analysis | Sep 17, 2025 | E169625 |
| J2219143 | Certificate of Analysis | Aug 07, 2025 | E169625 |
| I2126100 | Certificate of Analysis | Jul 05, 2024 | E169625 |
| Boil Point(°C) | 273-274°C |
|---|---|
| Molecular Weight | 206.240 g/mol |
| XLogP3 | 2.200 |
| 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 |
