≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
Product Description
Under the catalysis of chiral aminophosphine, 3-butyn-2-one can react with o-toluenesulfonylbenzenemalonate in an asymmetric bis-Michael reaction to form indoline. It can react with nitrogen-containing bound diacids to produce piperonic acid derivatives.
Product Application
3-Butyn-2-one can be used in the synthesis of Cropane diterpene (+/-)-Sakamectin. It can be used as a substrate for stereoselective conjugated arylation mediated by gallium (III) chloride to generate (E)-α,β-unsaturation.
| Pubchem Sid | 504752624 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752624 |
| Canonical Smiles | CC(=O)C#C |
| IUPAC Name | but-3-yn-2-one |
| InChIKey | XRGPFNGLRSIPSA-UHFFFAOYSA-N |
| INCHI | 1S/C4H4O/c1-3-4(2)5/h1H,2H3 |
| Isomeric SMILES | CC(=O)C#C |
| WGK Germany | 3 |
| RTECS | ES0875000 |
| UN Number | 1992 |
| Molecular Weight | 68.07 |
| Beilstein | 605353 |
| Reaxy-Rn | 605353 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605353&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Alpha,beta-unsaturated carbonyl compounds |
| Direct Parent | Alpha,beta-unsaturated ketones |
| Alternative Parents | Ketones Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha,beta-unsaturated ketone - Ketone - Acetylide - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha,beta-unsaturated ketones. These are ketones with the general structure R#CC(=O)R' or R=CC(=O)R', where R=organyl and R'= organyl group. |
| External Descriptors | terminal acetylenic compound - methyl ketone |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2226198 | Certificate of Analysis | Jan 19, 2026 | B101576 |
| F2310031 | Certificate of Analysis | Mar 03, 2025 | B101576 |
| F2310032 | Certificate of Analysis | Mar 03, 2025 | B101576 |
| G2425107 | Certificate of Analysis | Apr 01, 2024 | B101576 |
| F2230379 | Certificate of Analysis | Jun 14, 2022 | B101576 |
| Solubility | It is soluble in water. |
|---|---|
| Sensitivity | Light sensitive;Heat sensitive |
| Refractive Index | 1.406 |
| Flash Point(°F) | 30 °F |
| Flash Point(°C) | -1 °C |
| Boil Point(°C) | 85℃ |
| Molecular Weight | 68.070 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 68.0262 Da |
| Monoisotopic Mass | 68.0262 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 83.100 |
| 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 |
