≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,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 | 488182456 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182456 |
| Canonical Smiles | CC(=O)OC(=C)C#N |
| IUPAC Name | 1-cyanoethenyl acetate |
| InChIKey | LFSHREXVLSTLFB-UHFFFAOYSA-N |
| INCHI | 1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3 |
| Isomeric SMILES | CC(=O)OC(=C)C#N |
| RTECS | AG4550000 |
| Molecular Weight | 111.1 |
| Beilstein | 3(3)684 |
| Reaxy-Rn | 1751158 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751158&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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Enol esters |
| Alternative Parents | Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enol ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 K2412355 | Certificate of Analysis | Nov 01, 2024 | C153479 |
| K2412356 | Certificate of Analysis | Nov 01, 2024 | C153479 |
| G2403314 | Certificate of Analysis | Jun 25, 2024 | C153479 |
| G2403315 | Certificate of Analysis | Jun 25, 2024 | C153479 |
| E2407071 | Certificate of Analysis | Oct 16, 2023 | C153479 |
| J2327114 | Certificate of Analysis | Oct 16, 2023 | C153479 |
| J2327115 | Certificate of Analysis | Oct 16, 2023 | C153479 |
| C23151269 | Certificate of Analysis | Feb 08, 2023 | C153479 |
| C23151271 | Certificate of Analysis | Feb 08, 2023 | C153479 |
| C23151272 | Certificate of Analysis | Feb 08, 2023 | C153479 |
| C23151278 | Certificate of Analysis | Feb 08, 2023 | C153479 |
| Sensitivity | Light Sensitive,Moisture Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.43 |
| Flash Point(°C) | 69°C(lit.) |
| Boil Point(°C) | 173°C(lit.) |
| Molecular Weight | 111.100 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 111.032 Da |
| Monoisotopic Mass | 111.032 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
