Hexafluoroacetone trihydrate
Synonym(s):Hexafluoro-2-propanone trihydrate;Perfluoroacetone trihydrate
- CAS NO.:34202-69-2
- Empirical Formula: C3H6F6O4
- Molecular Weight: 220.07
- MDL number: MFCD00149061
- EINECS: 629-519-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:16:10
What is Hexafluoroacetone trihydrate?
Description
Hexafluoroacetone trihydrate, also known as gem diol, hexafluoropropan-2,2- diol, is a covalent hydrate of the ketone. It could used as a structure stabilizer for peptides. It was a metabolite of aerosol propellant HFA-227 and is present in the urine. It was shown to undergo an efficient carbonyl-ene reaction with a variety of alkenes in the presence of molecular sieves under microwave heating and conventional heating producing hexafluoroisopropanol functionalized derivatives in high yields[1-2].
The Uses of Hexafluoroacetone trihydrate
Hexafluoroacetone trihydrate (HFA?3H2O) is used to produce Sevoflurane,a high quality anesthetic and Bisphenol AF, a crosslinker for fluoroelastomers. It can also be used to produce various high-end fluorinated products such as fluorinated polyimide, etc.
The Uses of Hexafluoroacetone trihydrate
Hexafluoroacetone trihydrate was used to study the kinetics and thermodynamics of linkage isomerization of (acetone)pentaammineruthenium (III) and-ruthenium (II) complexes. It was used in a study to reconstitute the α-and β-polypeptides of both Rhodobacter sphaeroides and Rhodospirillum rubrum with bacteriochlorophyll a.
What are the applications of Application
Hexafluoroacetone trihydrate is a building block in organic synthesis
General Description
Hexafluoroacetone trihydrate forms crystalline 1:1 complexes with imidazole 3-oxides.
References
[1] Sridhar M, et al. A facile method for the preparation of hexafluoroisopropanol functionalized derivatives using hexafluoroacetone trihydrate via a carbonyl-ene reaction. Tetrahedron Letters, 2009; 50: 1777-1779.
[2] K?ster U, et al. Biotransformation of the aerosol propellant 1,1,1,2,3,3,3-heptafluoropropane (HFA-227): lack of protein binding of the metabolite hexafluoroacetone. Drug Metabolism and Disposition , 1996.
Properties of Hexafluoroacetone trihydrate
| Melting point: | 18-21 °C(lit.) |
| Boiling point: | 106-108 °C |
| Density | 1.579 g/mL at 25 °C(lit.) |
| vapor pressure | 87.5 psi ( 21 °C) |
| refractive index | n |
| Flash point: | 105-106°C |
| Water Solubility | Completely soluble in water |
| form | liquid |
| color | colorless |
| Specific Gravity | 1.579 |
| Merck | 14,4685 |
| BRN | 607236 |
| InChI | InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2 |
| CAS DataBase Reference | 34202-69-2(CAS DataBase Reference) |
Safety information for Hexafluoroacetone trihydrate
| Signal word | Danger |
| Pictogram(s) |
![]() Corrosion Corrosives GHS05 ![]() Skull and Crossbones Acute Toxicity GHS06 ![]() Health Hazard GHS08 |
| GHS Hazard Statements |
H310:Acute toxicity,dermal H314:Skin corrosion/irritation H361:Reproductive toxicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Hexafluoroacetone trihydrate
| InChIKey | SNZAEUWCEHDROX-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)C(=O)C(F)(F)F.O.O.O |
Hexafluoroacetone trihydrate manufacturer
New Products
Paroxetine Impurity G/Paroxetine Related Compound E 1-Aminocyclopentane carbonitrile (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid N,N CARBONYL DIIMIDAZOLE 2-Amino-5-bromo-4-(trifluoromethyl)pyridine(RM for Indian lab) Benzyl (3R,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate (R)-1-Benzyl-3-pyrrolidinecarbonitrile Betahistine EP Impurity C Cyclobenzaprine N-oxide/Citalopram Related Compound E Chlorthalidone Impurity I Carbamazepine EP Impurity G Sumatriptan Succinate USP Related Compound C 2,2'-(5-methyl-1,3-phenylene)-di(2-Methylpropionitrile) 4-Fluorothiophenol 1-methyl amino-2,4-dinitro benzene 5-Methyl-1,3-benzenediacetonitrile (R)-BoroLeu-(+)-Pinanediol-CF3COOH 4-(5-amino-1-methyl-1h-benzoimidazol-2-yl)-butyric acid isopropyl ester. 4-Bromo Benzylcyanide 3-Hydroxypropionitrile 3,4 Dimethoxy Benzylcyanide valeronitrile 3-chlorobenzyl cyanide 2-Chloro BenzylcyanideRelated products of tetrahydrofuran








You may like
-
Hexafluoroacetone trihydrate CAS 34202-69-2View Details
34202-69-2 -
Hexafluoroacetone trihydrate 98.00% CAS 34202-69-2View Details
34202-69-2 -
Hexafluoroacetone trihydrate CAS 34202-69-2View Details
34202-69-2 -
1012886-75-7(HCl Salt)/69675-10-1(Freebase) Paroxetine Impurity G/Paroxetine Related Compound E NLT 95%View Details
1012886-75-7(HCl Salt)/69675-10-1(Freebase) -
Bromoacetaldehyde Dimethyl Acetal (stabilized with K2CO3)View Details
7252-83-7 -
157528-56-8 (R)-1-Benzyl-3-pyrrolidinecarbonitrile 98+View Details
157528-56-8 -
157528-56-8 (R)-1-Benzyl-3-pyrrolidinecarbonitrile 98+View Details
157528-56-8 -
5-azidovalericacidView Details
79583-98-5



