≥70% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
General Description
3-Penten-2-one is volatile compound present in berry fruit of two Aronia melanocarpa genotypes. Urinary 3-penten-2-one is a useful biomarker for increased accumulation of acetaldehyde during abnormal metabolic stress.
Application
3-Penten-2-one was used in the synthesis of the alkaloids (+/-)-senepodine G and (+/-)-cermizine C.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 145017.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit .com/metlin.
| 정식 스마일 | CC=CC(=O)C |
|---|---|
| IUPAC Name | (E)-pent-3-en-2-one |
| InChIKey | LABTWGUMFABVFG-ONEGZZNKSA-N |
| INCHI | 1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+ |
| 이성체 SMILES | C/C=C/C(=O)C |
| WGK 독일 | 3 |
| RTECS | SB3850000 |
| PubChem CID | 637920 |
| 분자량 | 84.12 |
| Beilstein | 1633505 |
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 |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones |
| Direct Parent | Enones |
| Alternative Parents | Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'. |
| External Descriptors | Oxygenated hydrocarbons |
| 굴절률 | 1.4355 |
|---|---|
| 발화점(°F) | 69°F |
| 발화점(°C) | 21℃ |
| 끓는점(°C) | 119-121℃ |
| 분자량 | 84.120 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.0575 Da |
| Monoisotopic Mass | 84.0575 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 72.000 |
| 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 |
| 1. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai. (2025) Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2025.107374] |
| 2. Siyang Yan, Ruilin Feng, Jiaxu Liu, Chenxi Bai, Yanlong Qi. (2024) Stereocatalytic Effect of CeO2 for the Synthesis of trans-3-Penten-2-ol. ChemCatChem, [PMID:] [10.1002/cctc.202401605] |
