≥98% 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.
| Canonical Smiles | CCC#CC(=O)OCC |
|---|---|
| IUPAC Name | ethyl pent-2-ynoate |
| InChIKey | XDPRPKSTFBPPHU-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3 |
| Isomeric SMILES | CCC#CC(=O)OCC |
| WGK Germany | 3 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 126.15 |
| Reaxy-Rn | 1750016 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750016&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 | Ynoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Ynoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 |
|---|---|---|---|
 A2621471 | Certificate of Analysis | Jan 30, 2026 | E189158 |
| A2621477 | Certificate of Analysis | Jan 30, 2026 | E189158 |
| A2621497 | Certificate of Analysis | Jan 30, 2026 | E189158 |
| H2103244 | Certificate of Analysis | Jul 09, 2024 | E189158 |
| H2103243 | Certificate of Analysis | Jul 09, 2024 | E189158 |
| Solubility | Not miscible in water. |
|---|---|
| Flash Point(°F) | 100.4 °F |
| Flash Point(°C) | 38 °C |
| Boil Point(°C) | 178-179°C |
| Molecular Weight | 126.150 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 126.068 Da |
| Monoisotopic Mass | 126.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
