≥96% 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 | 504755339 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755339 |
| Canonical Smiles | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChIKey | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| WGK Germany | 3 |
| Molecular Weight | 172.18 |
| Beilstein | 775014 |
| Reaxy-Rn | 775014 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775014&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 | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters Beta-diketones Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-diketone - 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 |
| Description | 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2511325 | Certificate of Analysis | Jul 14, 2025 | E120352 |
| H2511355 | Certificate of Analysis | Jul 14, 2025 | E120352 |
| H2511356 | Certificate of Analysis | Jul 14, 2025 | E120352 |
| H1701004 | Certificate of Analysis | Mar 04, 2025 | E120352 |
| Refractive Index | 1.472 |
|---|---|
| Flash Point(°F) | 185 °F |
| Flash Point(°C) | 85°(185°F) |
| Boil Point(°C) | 104-105°/17mm |
| Molecular Weight | 172.180 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 172.074 Da |
| Monoisotopic Mass | 172.074 Da |
| Topological Polar Surface Area | 60.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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. Yanwei Lai, Dashi Deng, Simin Yuan, Xiaocen Liu, Qifang Lei, Guangzhi Li. (2024) Intravesical cascade delivery of active monoterpene coumarin for bladder cancer therapy. Materials Advances, [PMID:] [10.1039/D4MA00528G] |
