≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504753391 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753391 |
| Kanonisches Lächeln | CCOC(=O)C(CC#C)C(=O)OCC |
| IUPAC Name | diethyl 2-prop-2-ynylpropanedioate |
| InChIKey | FKXOELIKVUIBLP-UHFFFAOYSA-N |
| INCHI | 1S/C10H14O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h1,8H,5-7H2,2-3H3 |
| Isomere SMILES | CCOC(=O)C(CC#C)C(=O)OCC |
| Molekulargewicht | 198.22 |
| Reaxy-Rn | 1103668 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103668&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 | Lipids and lipid-like molecules |
| Klasse | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Acetylide - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
 J2331291 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| J2331292 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| J2331306 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| J2331307 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| J2331308 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| J2331313 | Certificate of Analysis | Sep 06, 2023 | D155774 |
| Brechungsindex | 1.44 |
|---|---|
| Flammpunkt (°C) | 121 °C |
| Siedepunkt (°C) | 115°C/11mmHg(lit.) |
| Molekulargewicht | 198.220 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 198.089 Da |
| Monoisotopic Mass | 198.089 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| 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 |
