≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528769415 |
|---|---|
| Canonical Smiles | CC(=O)CC(=O)OCC=C |
| IUPAC Name | prop-2-enyl 3-oxobutanoate |
| InChIKey | AXLMPTNTPOWPLT-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3 |
| Isomeric SMILES | CC(=O)CC(=O)OCC=C |
| UN Number | 2810 |
| Packing Group | III |
| Molecular Weight | 142.15 |
| Beilstein | 1758569 |
| Reaxy-Rn | 1758569 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758569&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 acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Beta-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta-keto acids and derivatives |
| Alternative Parents | Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. |
| External Descriptors | Not available |
| Solubility | Soluble in water |
|---|---|
| Sensitivity | Air Sensitive |
| Refractive Index | 1.439 |
| Flash Point(°F) | 67°C |
| Flash Point(°C) | 67°C |
| Boil Point(°C) | 194-195°C |
| Melt Point(°C) | -85 °C |
| Molecular Weight | 142.150 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.063 Da |
| Monoisotopic Mass | 142.063 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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 |
| 1. Xuefei Cao, Mingyang Xin, Jiaxin Yin. (2024) A Novel Cellulose-Supported Polymer Electrolyte with High Ionic Conductivity for Lithium Metal Batteries. MOLECULES, 29 (23): (5487). [PMID:39683647] [10.3390/molecules29235487] |
| 2. Youlan Zou, Yanhong He, Huiyao Li, Shiyan Deng, Wenhao Tang, Shuang Deng. (2024) PEO-based electrolyte filled with UV-cured 3D cross-linked polymer network for lithium metal batteries. Journal of Energy Storage, [PMID:] [10.1016/j.est.2024.114619] |
| 3. Hongzhe Zhao, Pengcheng Li, Yanqing Wang, Picheng Chen, Yu Ding, Yuetao Liu, Fengchen Qiao, Yumin Wu, Li Ding, Chuanhui Gao. (2025) Sustainable closed-loop recycling of vinylogous urethan-based covalent adaptable networks: Impact of branching nodes on mechanical strength and recyclability. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.162306] |
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