≥96%(GC) 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.
Reacts with symmetric allylic diacetates or dicarbonates in the presence of a palladium catalyst to give dihyrofurans.
| Pubchem Sid | 488183271 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183271 |
| Canonical Smiles | COC(=O)CC(=O)CCl |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChIKey | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| INCHI | 1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3 |
| Isomeric SMILES | COC(=O)CC(=O)CCl |
| WGK Germany | 3 |
| RTECS | AK5115000 |
| Molecular Weight | 150.56 |
| Beilstein | 1759940 |
| Reaxy-Rn | 1759939 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759939&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 Alpha-chloroketones Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - 1,3-dicarbonyl compound - Alpha-haloketone - Alpha-chloroketone - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl chloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organochloride - 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 |
|---|---|---|---|
 I1807067 | Certificate of Analysis | Apr 15, 2026 | M158829 |
| C2208120 | Certificate of Analysis | Dec 12, 2025 | M158829 |
| B2215201 | Certificate of Analysis | Oct 29, 2025 | M158829 |
| K2418334 | Certificate of Analysis | Nov 06, 2024 | M158829 |
| K2418335 | Certificate of Analysis | Nov 06, 2024 | M158829 |
| K2418336 | Certificate of Analysis | Nov 06, 2024 | M158829 |
| K2418337 | Certificate of Analysis | Nov 06, 2024 | M158829 |
| K2418338 | Certificate of Analysis | Nov 06, 2024 | M158829 |
| K2401572 | Certificate of Analysis | Oct 22, 2024 | M158829 |
| L2219131 | Certificate of Analysis | Dec 23, 2022 | M158829 |
| Solubility | Soluble in water,Decomposes in contact with water; Soluble in Ether |
|---|---|
| Refractive Index | 1.456 |
| Flash Point(°F) | 215.6 °F |
| Flash Point(°C) | 108°C |
| Boil Point(°C) | 85 °C/4 mmHg |
| Melt Point(°C) | 14 °C |
| Molecular Weight | 150.560 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 150.008 Da |
| Monoisotopic Mass | 150.008 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
