≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504761563 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761563 |
| Canonical Smiles | CC(C)C(=O)CC(=O)OC |
| IUPAC Name | methyl 4-methyl-3-oxopentanoate |
| InChIKey | HNNFDXWDCFCVDM-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3 |
| Isomeric SMILES | CC(C)C(=O)CC(=O)OC |
| WGK Germany | 1 |
| Molecular Weight | 144.17 |
| Reaxy-Rn | 1857823 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857823&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 methyl esters 1,3-dicarbonyl compounds Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2211360 | Certificate of Analysis | May 20, 2026 | M106811 |
| H2211362 | Certificate of Analysis | May 20, 2026 | M106811 |
| K2127681 | Certificate of Analysis | Sep 09, 2025 | M106811 |
| K2127682 | Certificate of Analysis | Sep 09, 2025 | M106811 |
| L2031309 | Certificate of Analysis | Oct 12, 2024 | M106811 |
| I2404217 | Certificate of Analysis | Jun 24, 2024 | M106811 |
| I1523056 | Certificate of Analysis | Jun 05, 2023 | M106811 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.4265 |
| Flash Point(°F) | 78℃ |
| Flash Point(°C) | 78℃ |
| Boil Point(°C) | 55-57°C |
| Melt Point(°C) | -75 °C |
| Molecular Weight | 144.170 g/mol |
| XLogP3 | 1.000 |
| 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 |
| 1. Jing Yang, Shaohuan Sun, Biao Zhang, Juan Zhang, Yanlong Gu. (2014) 2-Alkoxy-3,4-dihydropyrans as modular substrates to construct polyheterocycles by reacting with NH2-containing bisnucleophiles. TETRAHEDRON, [PMID:] [10.1016/j.tet.2014.10.023] |
