≥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 | 488195490 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195490 |
| Canonical Smiles | CCOC(=O)C=CC(F)(F)F |
| IUPAC Name | ethyl (E)-4,4,4-trifluorobut-2-enoate |
| InChIKey | ZKRJCMKLCDWROR-ONEGZZNKSA-N |
| INCHI | 1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+ |
| Isomeric SMILES | CCOC(=O)/C=C/C(F)(F)F |
| WGK Germany | 3 |
| Alternate CAS | 406-10-0 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 168.11 |
| Beilstein | 2(4)1509 |
| Reaxy-Rn | 1772948 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772948&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 | Enoate esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 I1806134 | Certificate of Analysis | Apr 15, 2026 | E102791 |
| C1823150 | Certificate of Analysis | Oct 14, 2025 | E102791 |
| C1823151 | Certificate of Analysis | Oct 14, 2025 | E102791 |
| H2422522 | Certificate of Analysis | Jun 19, 2024 | E102791 |
| H2422157 | Certificate of Analysis | Jun 19, 2024 | E102791 |
| H2422155 | Certificate of Analysis | Jun 19, 2024 | E102791 |
| H2422156 | Certificate of Analysis | Jun 19, 2024 | E102791 |
| K1603057 | Certificate of Analysis | Jun 13, 2024 | E102791 |
| L2205642 | Certificate of Analysis | Dec 08, 2022 | E102791 |
| G2307612 | Certificate of Analysis | Jul 13, 2022 | E102791 |
| I1806135 | Certificate of Analysis | Jul 13, 2022 | E102791 |
| D2310239 | Certificate of Analysis | Jul 13, 2022 | E102791 |
| Refractive Index | 1.3601 |
|---|---|
| Flash Point(°F) | 78.8 °F |
| Flash Point(°C) | 25° C |
| Boil Point(°C) | 114-115°C |
| Molecular Weight | 168.110 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 168.04 Da |
| Monoisotopic Mass | 168.04 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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. Xinyao She, Jianli Gai, Xiaosong Liu. (2025) In-situ polymerized electrolyte enabling high-voltage (4.6 V) full-cell lithium-ion batteries. JOURNAL OF POWER SOURCES, [PMID:] [10.1016/j.jpowsour.2025.238521] |
