≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone. It forms Er(3+) complexes. These complexes shows thermally activated slow relaxation of magnetization under a zero direct-current (DC) field.
Application
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D2-TFDMHD, by mixing with D2O.
| Pubchem Sid | 504756002 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756002 |
| Canonical Smiles | CC(C)(C)C(=O)CC(=O)C(F)(F)F |
| IUPAC Name | 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione |
| InChIKey | BVPKYBMUQDZTJH-UHFFFAOYSA-N |
| INCHI | 1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)C(=O)CC(=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 89830 |
| Molecular Weight | 196.17 |
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 oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-diketone - Alpha-haloketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. |
| 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 |
|---|---|---|---|
 I2305624 | Certificate of Analysis | Jun 15, 2026 | T168779 |
| L2215128 | Certificate of Analysis | Sep 17, 2025 | T168779 |
| F2414142 | Certificate of Analysis | Jun 01, 2024 | T168779 |
| F2414147 | Certificate of Analysis | Jun 01, 2024 | T168779 |
| I2305622 | Certificate of Analysis | Aug 23, 2023 | T168779 |
| I2305623 | Certificate of Analysis | Aug 23, 2023 | T168779 |
| L2215118 | Certificate of Analysis | Dec 05, 2022 | T168779 |
| Sensitivity | heat sensitive |
|---|---|
| Flash Point(°F) | 105.8 °F |
| Flash Point(°C) | 41 °C |
| Boil Point(°C) | 138-141°C |
| Molecular Weight | 196.170 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 196.071 Da |
| Monoisotopic Mass | 196.071 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
