≥95%, mixture of cis and trans isomers 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.
| Sonrisas canónicas | CC(=O)OC=CC=C |
|---|---|
| IUPAC Name | [(1E)-buta-1,3-dienyl] acetate |
| InChIKey | NMQQBXHZBNUXGJ-SNAWJCMRSA-N |
| INCHI | 1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+ |
| Isómeros SMILES | CC(=O)O/C=C/C=C |
| WGK Alemania | 3 |
| RTECS | EJ1225000 |
| Número ONU | 1992 |
| Grupo de embalaje | III |
| Peso molecular | 112.13 |
| Reaxy-Rn | 1743394 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743394&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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Enol esters |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enol ester - Monocarboxylic acid or derivatives - 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 enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group. |
| 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 |
|---|---|---|---|
 A2509449 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| A2509450 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| A2509455 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| A2509457 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| A2516024 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| A2516025 | Certificate of Analysis | Dec 27, 2024 | A463003 |
| Índice de refracción | 1.469 |
|---|---|
| Punto de inflamación (°F) | 91.4 °F |
| Punto de inflamación (°C) | 33 °C |
| Peso molecular | 112.130 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 112.052 Da |
| Monoisotopic Mass | 112.052 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| 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 |
