≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | 504763739 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763739 |
| Canonical Smiles | COC(=O)C=CC=O |
| IUPAC Name | methyl (E)-4-oxobut-2-enoate |
| InChIKey | CRBJVPSOOMDSPT-NSCUHMNNSA-N |
| INCHI | 1S/C5H6O3/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2+ |
| Isomeric SMILES | COC(=O)/C=C/C=O |
| Molecular Weight | 114.1 |
| Reaxy-Rn | 15687821 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15687821&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Methyl esters Enoate esters Enals Monocarboxylic acids and derivatives Short-chain aldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha,beta-unsaturated aldehyde - Enal - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Short-chain aldehyde - Hydrocarbon derivative - Organic oxide - Aldehyde - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| 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 |
|---|---|---|---|
 H2324570 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| H2324693 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| H2324699 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| H2324700 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| H2324718 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| H2324727 | Certificate of Analysis | Aug 10, 2023 | M158237 |
| Sensitivity | Air Sensitive,Heat Sensitive |
|---|---|
| Boil Point(°C) | 88°C/40mmHg(lit.) |
| Melt Point(°C) | 40 °C |
| Molecular Weight | 114.100 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.032 Da |
| Monoisotopic Mass | 114.032 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 115.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
