≥99%(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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763679 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763679 |
| Canonical Smiles | CC(=CC(=O)OC)C(=O)OC |
| IUPAC Name | dimethyl (Z)-2-methylbut-2-enedioate |
| InChIKey | WQEXBUQDXKPVHR-PLNGDYQASA-N |
| INCHI | 1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4- |
| Isomeric SMILES | C/C(=C/C(=O)OC)/C(=O)OC |
| RTECS | GE6700000 |
| Molecular Weight | 158.15 |
| Beilstein | 2(4)2232 |
| Reaxy-Rn | 10654808 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10654808&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 Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - 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 |
|---|---|---|---|
 A2616093 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421177 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421178 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421187 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421200 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421201 | Certificate of Analysis | May 11, 2024 | D155580 |
| E2421202 | Certificate of Analysis | May 11, 2024 | D155580 |
| Solubility | Very soluble in Ethanol,Ether,Acetone |
|---|---|
| Refractive Index | 1.45 |
| Flash Point(°C) | 92 °C |
| Boil Point(°C) | 211°C(lit.) |
| Molecular Weight | 158.150 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 158.058 Da |
| Monoisotopic Mass | 158.058 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
