Determine the necessary mass, volume, or concentration for preparing a solution.
AR, ≥98% AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Cool 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 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180896 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180896 |
| Sonrisas canónicas | CCOC(=O)CC(=O)C |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChIKey | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
| Isómeros SMILES | CCOC(=O)CC(=O)C |
| WGK Alemania | 1 |
| RTECS | AK5250000 |
| Número ONU | 1993 |
| Grupo de embalaje | I |
| Peso molecular | 130.14 |
| Beilstein | 385838 |
| Reaxy-Rn | 385838 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385838&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 acids and derivatives |
| Clase | Keto acids and derivatives |
| Subclass | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. |
| External Descriptors | a small molecule |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 11, 2026 | E103937 | |
| Certificate of Analysis | May 11, 2026 | E103937 | |
| Certificate of Analysis | Mar 16, 2026 | E103937 | |
| Certificate of Analysis | Mar 16, 2026 | E103937 | |
| Certificate of Analysis | Mar 16, 2026 | E103937 | |
| Certificate of Analysis | Mar 16, 2026 | E103937 | |
| Certificate of Analysis | Sep 19, 2025 | E103937 | |
| Certificate of Analysis | Sep 19, 2025 | E103937 | |
| Certificate of Analysis | May 09, 2025 | E103937 | |
| Certificate of Analysis | May 09, 2025 | E103937 | |
| Certificate of Analysis | May 09, 2025 | E103937 | |
| Certificate of Analysis | Apr 24, 2025 | E103937 | |
| Certificate of Analysis | Mar 24, 2025 | E103937 | |
| Certificate of Analysis | Mar 24, 2025 | E103937 | |
| Certificate of Analysis | Mar 24, 2025 | E103937 | |
| Certificate of Analysis | Jul 27, 2024 | E103937 | |
| Certificate of Analysis | Jul 27, 2024 | E103937 | |
| Certificate of Analysis | May 14, 2024 | E103937 | |
| Certificate of Analysis | May 13, 2024 | E103937 | |
| Certificate of Analysis | Dec 14, 2023 | E103937 | |
| Certificate of Analysis | Dec 12, 2023 | E103937 | |
| Certificate of Analysis | Sep 20, 2023 | E103937 | |
| Certificate of Analysis | Aug 05, 2023 | E103937 | |
| Certificate of Analysis | Jul 15, 2023 | E103937 | |
| Certificate of Analysis | Jun 09, 2023 | E103937 | |
| Certificate of Analysis | Mar 17, 2023 | E103937 | |
| Certificate of Analysis | Mar 16, 2023 | E103937 | |
| Certificate of Analysis | Dec 13, 2022 | E103937 | |
| Certificate of Analysis | Nov 18, 2022 | E103937 |
| Solubilidad | Slightly soluble in water; Degree of Solubility in water: 28.6 g/l 20 °C; Miscible with Ether,Acetone |
|---|---|
| Sensibilidad | Moisture sensitive. |
| Índice de refracción | 1.42 |
| Punto de inflamación (°F) | 163.4 °F |
| Punto de inflamación (°C) | 85℃ |
| Punto de ebullición (°C) | 180°C |
| Punto de fusión (°C) | -45°C |
| Peso molecular | 130.139 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.063 Da |
| Monoisotopic Mass | 130.063 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 117.000 |
| 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 |
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