≥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.
| Canonical Smiles | CCOC(=O)CC(C(=O)C)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 2-acetylbutanedioate |
| InChIKey | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)CC(C(=O)C)C(=O)OCC |
| WGK Germany | 3 |
| Molecular Weight | 216.23 |
| Reaxy-Rn | 1788866 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788866&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 |
| Class | Keto acids and derivatives |
| Subclass | Gamma-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Gamma-keto acids and derivatives |
| Alternative Parents | Fatty acid esters Beta-keto acids and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Gamma-keto acid - Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. |
| 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 |
|---|---|---|---|
 F2505373 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| F2505376 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| F2513710 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| F2513711 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| F2513712 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| F2513713 | Certificate of Analysis | Mar 26, 2025 | D165938 |
| Refractive Index | 1.435 |
|---|---|
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | >113 °C |
| Boil Point(°C) | 181.5℃ |
| Molecular Weight | 216.230 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 216.1 Da |
| Monoisotopic Mass | 216.1 Da |
| Topological Polar Surface Area | 69.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
