≥97% 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 | 488198897 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198897 |
| Sonrisas canónicas | CCC=CCCOC(=O)C(=CC)C |
| IUPAC Name | [(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate |
| InChIKey | JNWQKXUWZWKUAY-JQEGGOPCSA-N |
| INCHI | 1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+ |
| Isómeros SMILES | CC/C=C\CCOC(=O)/C(=C/C)/C |
| WGK Alemania | 2 |
| RTECS | EM9253500 |
| Peso molecular | 182.26 |
| Reaxy-Rn | 33426272 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33426272&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 |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 J2111421 | Certificate of Analysis | Jul 10, 2025 | H115126 |
| J2111423 | Certificate of Analysis | Jul 10, 2025 | H115126 |
| J2111487 | Certificate of Analysis | Jul 10, 2025 | H115126 |
| J2516817 | Certificate of Analysis | Jul 04, 2024 | H115126 |
| J2516842 | Certificate of Analysis | Jul 04, 2024 | H115126 |
| D2314529 | Certificate of Analysis | Aug 03, 2021 | H115126 |
| G2320133 | Certificate of Analysis | Aug 03, 2021 | H115126 |
| L2413152 | Certificate of Analysis | Aug 03, 2021 | H115126 |
| Índice de refracción | 1.46 |
|---|---|
| Punto de inflamación (°F) | 96 °C |
| Punto de inflamación (°C) | 96°C |
| Punto de ebullición (°C) | 105°C |
| Peso molecular | 182.260 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 182.131 Da |
| Monoisotopic Mass | 182.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
