≥98%(GC) 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 | 488185310 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185310 |
| Canonical Smiles | CCOC(=O)C(CC=C)(CC=C)C(=O)OCC |
| IUPAC Name | diethyl 2,2-bis(prop-2-enyl)propanedioate |
| InChIKey | LYUUVYQGUMRKOV-UHFFFAOYSA-N |
| INCHI | 1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3 |
| Isomeric SMILES | CCOC(=O)C(CC=C)(CC=C)C(=O)OCC |
| WGK Germany | 3 |
| Molecular Weight | 240.3 |
| Beilstein | 2(3)2003 |
| Reaxy-Rn | 1790529 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790529&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 Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - 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 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 |
|---|---|---|---|
 H2118410 | Certificate of Analysis | Jun 06, 2025 | D155462 |
| H2118411 | Certificate of Analysis | Jun 06, 2025 | D155462 |
| H2118414 | Certificate of Analysis | Jun 06, 2025 | D155462 |
| H2118415 | Certificate of Analysis | Jun 06, 2025 | D155462 |
| A2616071 | Certificate of Analysis | Aug 31, 2024 | D155462 |
| H2426355 | Certificate of Analysis | Aug 31, 2024 | D155462 |
| H2426359 | Certificate of Analysis | Aug 31, 2024 | D155462 |
| H2426362 | Certificate of Analysis | Aug 31, 2024 | D155462 |
| J2219152 | Certificate of Analysis | Aug 09, 2021 | D155462 |
| Refractive Index | 1.45 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 128°C/16mmHg(lit.) |
| Molecular Weight | 240.290 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 240.136 Da |
| Monoisotopic Mass | 240.136 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| 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. Shuang Liu, Jing Yan, Junqin Shi, Xuezhuang Li, Junping Zhang, Xuanyi Wang, Ningjing Cai, Quanhai Fang, Qiuyu Zhang, Yi Yan. (2022) Rational design of cobaltocenium-containing polythioether type metallo-polyelectrolytes as HCl corrosion inhibitors for mild steel. Polymer Chemistry, 14 (3): (330-342). [PMID:] [10.1039/D2PY01263D] |
