≥95%(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.
| Pubchem Sid | 488187566 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187566 |
| Canonical Smiles | CCCCOC(=O)CC(=C)C(=O)O |
| IUPAC Name | 4-butoxy-2-methylidene-4-oxobutanoic acid |
| InChIKey | VVAAYFMMXYRORI-UHFFFAOYSA-N |
| INCHI | 1S/C9H14O4/c1-3-4-5-13-8(10)6-7(2)9(11)12/h2-6H2,1H3,(H,11,12) |
| Isomeric SMILES | CCCCOC(=O)CC(=C)C(=O)O |
| Molecular Weight | 186.21 |
| Reaxy-Rn | 2088651 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088651&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 | Branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Branched fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - 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 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 |
|---|---|---|---|
 G2503441 | Certificate of Analysis | Jul 11, 2025 | M158254 |
| G2503442 | Certificate of Analysis | Jul 11, 2025 | M158254 |
| G2503443 | Certificate of Analysis | Jul 11, 2025 | M158254 |
| K2411293 | Certificate of Analysis | Oct 22, 2024 | M158254 |
| K2411294 | Certificate of Analysis | Oct 22, 2024 | M158254 |
| K2411295 | Certificate of Analysis | Oct 22, 2024 | M158254 |
| K2411296 | Certificate of Analysis | Oct 22, 2024 | M158254 |
| D2320231 | Certificate of Analysis | May 13, 2023 | M158254 |
| D2320237 | Certificate of Analysis | May 09, 2023 | M158254 |
| Melt Point(°C) | 33 °C |
|---|---|
| Molecular Weight | 186.200 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 186.089 Da |
| Monoisotopic Mass | 186.089 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |
