≥98%(GC) 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.
| Canonical Smiles | COC(=O)CC(=C)C(=O)O |
|---|---|
| IUPAC Name | 4-methoxy-2-methylidene-4-oxobutanoic acid |
| InChIKey | OIYTYGOUZOARSH-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9) |
| Isomeric SMILES | COC(=O)CC(=C)C(=O)O |
| Molecular Weight | 144.13 |
| Reaxy-Rn | 1766129 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766129&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 acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Branched fatty acids |
| Alternative Parents | Fatty acid methyl esters Unsaturated fatty acids Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Fatty acid ester - Branched fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. |
| 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 |
|---|---|---|---|
 H2127445 | Certificate of Analysis | Jun 09, 2025 | M158383 |
| H2127446 | Certificate of Analysis | Jun 09, 2025 | M158383 |
| C2511527 | Certificate of Analysis | Apr 26, 2024 | M158383 |
| C2511528 | Certificate of Analysis | Apr 26, 2024 | M158383 |
| C2430021 | Certificate of Analysis | Mar 26, 2024 | M158383 |
| C2430022 | Certificate of Analysis | Mar 26, 2024 | M158383 |
| I1911105 | Certificate of Analysis | Jul 07, 2023 | M158383 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Heat Sensitive |
| Boil Point(°C) | 149°C/10mmHg(lit.) |
| Melt Point(°C) | 72 °C |
| Molecular Weight | 144.120 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.042 Da |
| Monoisotopic Mass | 144.042 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
