≥93% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 488185669 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185669 |
| Canonical Smiles | CC=C(C)C(=O)C |
| IUPAC Name | 3-methylpent-3-en-2-one |
| InChIKey | ZAMCMCQRTZKGDX-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3 |
| Isomeric SMILES | CC=C(C)C(=O)C |
| WGK Germany | 3 |
| Molecular Weight | 98.15 |
| Beilstein | 1719970 |
| Reaxy-Rn | 1719967 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719967&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 - Alpha,beta-unsaturated ketones |
| Direct Parent | Alpha-branched alpha,beta-unsaturated ketones |
| Alternative Parents | Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-branched alpha,beta-unsaturated-ketone - Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom. |
| 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 |
|---|---|---|---|
 D2221057 | Certificate of Analysis | Feb 04, 2026 | M401547 |
| D2221058 | Certificate of Analysis | Feb 04, 2026 | M401547 |
| L2128217 | Certificate of Analysis | Oct 21, 2025 | M401547 |
| L2128218 | Certificate of Analysis | Oct 21, 2025 | M401547 |
| L2128279 | Certificate of Analysis | Oct 21, 2025 | M401547 |
| J2428664 | Certificate of Analysis | Jun 29, 2024 | M401547 |
| D2321469 | Certificate of Analysis | Apr 25, 2022 | M401547 |
| D2321472 | Certificate of Analysis | Apr 25, 2022 | M401547 |
| Sensitivity | Air sensitive |
|---|---|
| Refractive Index | 1.44 |
| Flash Point(°F) | 93.2 °F |
| Flash Point(°C) | 34℃ |
| Boil Point(°C) | 140°C(lit.) |
| Melt Point(°C) | -70℃ |
| Molecular Weight | 98.140 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 98.0732 Da |
| Monoisotopic Mass | 98.0732 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
