≥98% 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.
| Pubchem Sid | 488186384 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186384 |
| Canonical Smiles | CCOC(=O)C(CCC#N)C(=O)OCC |
| IUPAC Name | diethyl 2-(2-cyanoethyl)propanedioate |
| InChIKey | YJJLOESDBPRZIP-UHFFFAOYSA-N |
| INCHI | 1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
| WGK Germany | 3 |
| Molecular Weight | 213.23 |
| Beilstein | 1790237 |
| Reaxy-Rn | 1790237 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790237&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 |
| Class | 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 Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 F2229098 | Certificate of Analysis | Apr 03, 2026 | D120380 |
| F2310123 | Certificate of Analysis | May 29, 2023 | D120380 |
| F2310126 | Certificate of Analysis | May 29, 2023 | D120380 |
| F2310130 | Certificate of Analysis | May 29, 2023 | D120380 |
| F2310133 | Certificate of Analysis | May 29, 2023 | D120380 |
| F2310136 | Certificate of Analysis | May 29, 2023 | D120380 |
| C2304519 | Certificate of Analysis | Feb 21, 2023 | D120380 |
| C2304564 | Certificate of Analysis | Feb 21, 2023 | D120380 |
| C2304571 | Certificate of Analysis | Feb 21, 2023 | D120380 |
| C2304573 | Certificate of Analysis | Feb 21, 2023 | D120380 |
| C2304574 | Certificate of Analysis | Feb 21, 2023 | D120380 |
| Refractive Index | 1.436 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | >110°(230°F) |
| Boil Point(°C) | 115-117°C/2mmHg |
| Molecular Weight | 213.230 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 213.1 Da |
| Monoisotopic Mass | 213.1 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
