≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2-8°C에서 보관 Ships 젖은 얼음 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.
| Pubchem Sid | 504762358 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762358 |
| 정식 스마일 | CCOC=C(C(=O)C)C(=O)OCC |
| IUPAC Name | ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate |
| InChIKey | FNASCUBBFNCFQO-SOFGYWHQSA-N |
| INCHI | 1S/C9H14O4/c1-4-12-6-8(7(3)10)9(11)13-5-2/h6H,4-5H2,1-3H3/b8-6+ |
| 이성체 SMILES | CCO/C=C(\C(=O)C)/C(=O)OCC |
| 분자량 | 186.21 |
| Reaxy-Rn | 774916 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774916&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 |
| 분류 | 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 Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aliphatic acyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 K2130393 | Certificate of Analysis | Sep 04, 2025 | E156217 |
| K2130394 | Certificate of Analysis | Sep 04, 2025 | E156217 |
| C2004101 | Certificate of Analysis | Aug 14, 2024 | E156217 |
| A2509122 | Certificate of Analysis | Sep 29, 2021 | E156217 |
| G2422482 | Certificate of Analysis | Sep 29, 2021 | E156217 |
| L2403072 | Certificate of Analysis | Sep 29, 2021 | E156217 |
| 굴절률 | 1.48 |
|---|---|
| 발화점(°C) | 114 °C |
| 끓는점(°C) | 266°C |
| 분자량 | 186.200 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 186.089 Da |
| Monoisotopic Mass | 186.089 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
