≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Isopropyl acetoacetate can be used as a reactant to synthesize:
· Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
· Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
· 5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea
| Pubchem Sid | 488184126 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184126 |
| Sonrisas canónicas | CC(C)OC(=O)CC(=O)C |
| IUPAC Name | propan-2-yl 3-oxobutanoate |
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 |
| Isómeros SMILES | CC(C)OC(=O)CC(=O)C |
| WGK Alemania | 1 |
| Peso molecular | 144.17 |
| Beilstein | 1757046 |
| Reaxy-Rn | 1757046 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757046&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 |
| Clase | 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 |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C2623108 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| E23151151 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| E23151170 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| E23151171 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| E2315249 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| E2315274 | Certificate of Analysis | Apr 06, 2023 | I111058 |
| Solubilidad | Slightly miscible with water. |
|---|---|
| Índice de refracción | 1.4160 to 1.4200 |
| Punto de inflamación (°F) | 71℃ |
| Punto de inflamación (°C) | 71℃ |
| Punto de ebullición (°C) | 187°C |
| Punto de fusión (°C) | -27°C |
| Peso molecular | 144.170 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.079 Da |
| Monoisotopic Mass | 144.079 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |
