≥98%(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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ethyl 4,4,4-trifluorobutyrate is an ethyl ester of 4,4,4-tributyric acid. It is a useful spin trapping reagent used for ESR/EPR spectroscopy. It can be synthesized from Grignard reagent derived from 3-chloro-1,1,1-trifluoropropane..
| Pubchem Sid | 488192373 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192373 |
| Sonrisas canónicas | CCOC(=O)CCC(F)(F)F |
| IUPAC Name | ethyl 4,4,4-trifluorobutanoate |
| InChIKey | PSRZMXNNQTWAGB-UHFFFAOYSA-N |
| INCHI | 1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3 |
| Isómeros SMILES | CCOC(=O)CCC(F)(F)F |
| WGK Alemania | 3 |
| Número ONU | 3272 |
| Grupo de embalaje | III |
| Peso molecular | 170.13 |
| Beilstein | 2(4)810 |
| Reaxy-Rn | 1769215 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769215&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 |
| Clase | 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 Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| 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 - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 J2515511 | Certificate of Analysis | Sep 26, 2025 | E156461 |
| J2515512 | Certificate of Analysis | Sep 26, 2025 | E156461 |
| J2515513 | Certificate of Analysis | Sep 26, 2025 | E156461 |
| D2525010 | Certificate of Analysis | Sep 19, 2024 | E156461 |
| J2409313 | Certificate of Analysis | Sep 19, 2024 | E156461 |
| J2409314 | Certificate of Analysis | Sep 19, 2024 | E156461 |
| J2409315 | Certificate of Analysis | Sep 19, 2024 | E156461 |
| J1931026 | Certificate of Analysis | Aug 08, 2023 | E156461 |
| I2124291 | Certificate of Analysis | Jul 07, 2023 | E156461 |
| I2124292 | Certificate of Analysis | Jul 07, 2023 | E156461 |
| I2124248 | Certificate of Analysis | Jul 07, 2023 | E156461 |
| D2312168 | Certificate of Analysis | Mar 20, 2021 | E156461 |
| D2312169 | Certificate of Analysis | Mar 20, 2021 | E156461 |
| Índice de refracción | 1.3500 to 1.3540 |
|---|---|
| Punto de inflamación (°F) | 91.4 °F |
| Punto de inflamación (°C) | 33°C |
| Punto de ebullición (°C) | 127°C |
| Peso molecular | 170.130 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 170.055 Da |
| Monoisotopic Mass | 170.055 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| 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 |
| 1. Siru He, Huimin Yuan, Peide Zhu, Xingzhu Wang, Baomin Xu. (2024) Fluorinated co-solvent electrolytes enable lithium metal batteries to operate at low temperatures. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.156302] |
| 2. Shichao Zhang, Siyuan Li, Yuezheng Liu, Jin Tang, Xinyang Wang, Wei Zhong, Shulan Mao, Qian Wu, Chaoqiang Tan, Ziren Long, Hao Cheng, Yong Wu, Yingying Lu. (2026) Molecular Engineering of Fluorinated Solvents Enables Practical Lithium Metal Batteries. Advanced Energy Materials, [PMID:] [10.1002/aenm.202506771] |
