≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763714 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763714 |
| Canonical Smiles | CCC=CCC(=O)OCC |
| IUPAC Name | ethyl (E)-hex-3-enoate |
| InChIKey | VTSFIPHRNAESED-AATRIKPKSA-N |
| INCHI | 1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+ |
| Isomeric SMILES | CC/C=C/CC(=O)OCC |
| WGK Germany | 3 |
| UN Number | 3272 |
| Molecular Weight | 142.2 |
| Reaxy-Rn | 1751577 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751577&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 | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid 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 |
| 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 |
|---|---|---|---|
 H2209266 | Certificate of Analysis | Feb 04, 2026 | E117700 |
| H2209268 | Certificate of Analysis | Feb 04, 2026 | E117700 |
| F1430031 | Certificate of Analysis | Sep 19, 2025 | E117700 |
| L2313055 | Certificate of Analysis | Sep 09, 2025 | E117700 |
| Refractive Index | 1.426 |
|---|---|
| Flash Point(°F) | 138.2 °F |
| Flash Point(°C) | 59℃ |
| Boil Point(°C) | 63-64°C |
| Molecular Weight | 142.200 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.099 Da |
| Monoisotopic Mass | 142.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
| 1. Yu Nanxi, Lu Houfang, Yang Wei, Zheng Yuxin, Hu Qiang, Liu Yingying, Wu Kejing, Liang Bin. (2022) Transfer hydrogenation of levulinic acid to γ-valerolactone over acid site-modified CuNi alloy. Biomass Conversion and Biorefinery, [PMID:] [10.1007/s13399-022-02887-2] |
