≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508811369 |
|---|---|
| Sorrisos canónicos | CCCC(=O)CC(=O)OCC |
| IUPAC Name | ethyl 3-oxohexanoate |
| InChIKey | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3 |
| SMILES isoméricas | CCCC(=O)CC(=O)OCC |
| WGK Alemanha | 3 |
| RTECS | MO7420500 |
| Peso molecular | 158.19 |
| Beilstein | 507689 |
| Reaxy-Rn | 507689 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507689&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 |
| Classe | 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 |
| Descrição | 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 | Data | Item |
|---|---|---|---|
 K2230158 | Certificate of Analysis | Sep 02, 2026 | E107545 |
| D2222019 | Certificate of Analysis | Feb 04, 2026 | E107545 |
| B2219105 | Certificate of Analysis | Dec 22, 2025 | E107545 |
| D1725005 | Certificate of Analysis | Nov 07, 2024 | E107545 |
| D2425205 | Certificate of Analysis | Mar 20, 2024 | E107545 |
| K2321305 | Certificate of Analysis | Nov 30, 2023 | E107545 |
| D2222025 | Certificate of Analysis | Apr 30, 2022 | E107545 |
| Índice de refração | 1.427 |
|---|---|
| Ponto de inflamação (°F) | 194 °F |
| Ponto de inflamação (°C) | 90℃ |
| Ponto de ebulição (°C) | 104°C |
| Ponto de fusão (°C) | -44 °C |
| Peso molecular | 158.190 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.094 Da |
| Monoisotopic Mass | 158.094 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |
| 1. Jing Yang, Shaohuan Sun, Biao Zhang, Juan Zhang, Yanlong Gu. (2014) 2-Alkoxy-3,4-dihydropyrans as modular substrates to construct polyheterocycles by reacting with NH2-containing bisnucleophiles. TETRAHEDRON, [PMID:] [10.1016/j.tet.2014.10.023] |
