≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504755544 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755544 |
| 정식 스마일 | CCOC(=O)CC(=O)C(C)C |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChIKey | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3 |
| 이성체 SMILES | CCOC(=O)CC(=O)C(C)C |
| WGK 독일 | 3 |
| UN 번호 | 3272 |
| 분자량 | 158.19 |
| Beilstein | 636726 |
| Reaxy-Rn | 636726 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636726&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 |
| 분류 | 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 |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 I2502034 | Certificate of Analysis | Sep 11, 2025 | E100866 |
| K2105051 | Certificate of Analysis | May 07, 2025 | E100866 |
| K2105053 | Certificate of Analysis | May 07, 2025 | E100866 |
| K2105055 | Certificate of Analysis | May 07, 2025 | E100866 |
| K2105056 | Certificate of Analysis | May 07, 2025 | E100866 |
| J1923001 | Certificate of Analysis | Feb 08, 2025 | E100866 |
| 용해성 | Soluble in chloroform and methanol. |
|---|---|
| 감도 | Light sensitive. |
| 굴절률 | 1.4255-1.4275 |
| 발화점(°F) | 111.2 °F |
| 발화점(°C) | 44℃ |
| 끓는점(°C) | 173°C |
| 녹는점(°C) | -9°C |
| 분자량 | 158.190 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.094 Da |
| Monoisotopic Mass | 158.094 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| 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 |
