≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Product Application:
Dimethyl propargylmalonate can be used as a reactant to synthesize:Nitro methylenecyclopentanes by [3+2] annulation reaction with various nitroalkenes in the presence of Triton B.Propargylmalonamides intermediates, applicable in the preparation of ″click BOX″ ligands by copper-catalyzed cycloaddition and oxazoline ring formation reaction.Cyclopentene derivatives by reacting with various α, β-unsaturated ketones using a combination of organocatalysts and transition metal catalysts.
| Pubchem Sid | 488194933 |
|---|---|
| Canonical Smiles | COC(=O)C(CC#C)C(=O)OC |
| IUPAC Name | dimethyl 2-prop-2-ynylpropanedioate |
| InChIKey | PWQAXFWWMXTVFT-UHFFFAOYSA-N |
| INCHI | 1S/C8H10O4/c1-4-5-6(7(9)11-2)8(10)12-3/h1,6H,5H2,2-3H3 |
| Isomeric SMILES | COC(=O)C(CC#C)C(=O)OC |
| WGK Germany | 3 |
| Molecular Weight | 170.16 |
| Reaxy-Rn | 3539408 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3539408&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 Methyl esters Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Acetylide - 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 |
|---|---|---|---|
 F23091076 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| F23091077 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| F23091078 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| F23091079 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| F23091080 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| F23091081 | Certificate of Analysis | Mar 09, 2026 | D464089 |
| Refractive Index | n20/D 1.444 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 93-95 |
| Molecular Weight | 170.160 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 170.058 Da |
| Monoisotopic Mass | 170.058 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 206.000 |
| 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 |
