≥99%(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 | 488185457 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185457 |
| Canonical Smiles | COC(=O)CCC#N |
| IUPAC Name | methyl 3-cyanopropanoate |
| InChIKey | BPSKURPOKFSLHJ-UHFFFAOYSA-N |
| INCHI | 1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3 |
| Isomeric SMILES | COC(=O)CCC#N |
| Molecular Weight | 113.12 |
| Reaxy-Rn | 1746749 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746749&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 methyl esters |
| Alternative Parents | Methyl esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl 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 |
|---|---|---|---|
 G2426636 | Certificate of Analysis | May 19, 2026 | M135512 |
| A2211807 | Certificate of Analysis | Jul 21, 2025 | M135512 |
| H2308838 | Certificate of Analysis | May 12, 2025 | M135512 |
| H2308844 | Certificate of Analysis | May 12, 2025 | M135512 |
| H2308846 | Certificate of Analysis | May 12, 2025 | M135512 |
| H2308851 | Certificate of Analysis | May 12, 2025 | M135512 |
| H2308853 | Certificate of Analysis | May 12, 2025 | M135512 |
| G2426637 | Certificate of Analysis | Jun 22, 2024 | M135512 |
| A2211360 | Certificate of Analysis | Dec 21, 2021 | M135512 |
| Solubility | Soluble in Chloroform |
|---|---|
| Refractive Index | 1.4220 to 1.4250 |
| Flash Point(°C) | 88 °C |
| Boil Point(°C) | 216 °C |
| Molecular Weight | 113.110 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 113.048 Da |
| Monoisotopic Mass | 113.048 Da |
| Topological Polar Surface Area | 50.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| 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 |
