1515-14-6

Basic information

• Product Name: HEXAFLUORO-2-METHYLISOPROPANOL
• Synonyms: (CF3)2C(OH)CH3;1,1,1,3,3,3-hexafluoro-2-methyl-2-propano;2-Propanol, 1,1,1,3,3,3-hexafluoro-2-methyl-;Hexafluoro-tert-butanol;2-METHYL-1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL;1,1,1,3,3,3-HEXAFLUORO-2-METHYL-2-PROPANOL;1,1,1,3,3,3-HEXAFLUORO-2-METHYLISOPROPANOL;1,1,1,3,3,3-HEXAFLUORO-2-METHYL-PROPAN-2-OL
• CAS NO: 1515-14-6
• Molecular Formula: C₄H₄F₆O
• Molecular Weight: 182.06
• EINECS: 216-155-4
• Product Categories: Alcohols;C2 to C6;Oxygen Compounds;organofluorine compounds
• Mol File: 1515-14-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 60-62 °C(lit.)
• Flash Point: >230 °F
• Appearance: pale yellow/liquid
• Density: 1.484 g/mL at 25 °C(lit.)
• Vapor Pressure: 29.5mmHg at 25°C
• Refractive Index: n20/D 1.3(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Soluble), Methanol (Soluble)
• PKA: 9.82±0.29(Predicted)
• Water Solubility: Slightly soluble in water.
• Stability: Volatile
• BRN: 1841110
• CAS DataBase Reference: HEXAFLUORO-2-METHYLISOPROPANOL(CAS DataBase Reference)
• NIST Chemistry Reference: HEXAFLUORO-2-METHYLISOPROPANOL(1515-14-6)
• EPA Substance Registry System: HEXAFLUORO-2-METHYLISOPROPANOL(1515-14-6)

Safety Data

• Hazard Codes: Xn,Xi,F
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• TSCA: T
• HazardClass: IRRITANT, FLAMMABLE
• Hazardous Substances Data: 1515-14-6(Hazardous Substances Data)

Usage

Description

HEXAFLUORO-2-METHYLISOPROPANOL, also known as 1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, is a clear colorless liquid with unique chemical properties. It is characterized by its fluoroalkyl structure, which provides it with specific solubility and reactivity characteristics, making it a versatile compound in various applications.

Uses

Used in Chemical Synthesis:
HEXAFLUORO-2-METHYLISOPROPANOL is used as a solvent for the preparation of volatile sodium yttrium and zirconium fluoroalkoxides. Its unique solubility properties and reactivity make it an ideal choice for these specific chemical reactions.
Used in the Electronics Industry:
HEXAFLUORO-2-METHYLISOPROPANOL is used as a solvent in the synthesis of precursors to perand polyfluoroethers, which are essential materials in the electronics industry for their high thermal stability and dielectric properties. These properties are crucial for the performance of various electronic components and devices.
Used in the Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, HEXAFLUORO-2-METHYLISOPROPANOL's unique chemical properties may also make it a valuable compound in the pharmaceutical industry for the development of new drugs or as a component in drug delivery systems, due to its potential to enhance solubility and bioavailability of certain active pharmaceutical ingredients.

InChI:InChI=1/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3

Upstream product

• 421-50-1 1,1,1-trifluoro-2-propanone 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 74-87-3 methylene chloride 
• 684-16-2 Hexafluoroacetone 
• 75-16-1 methylmagnesium bromide 
• 917-54-4 methyllithium 
• 676-58-4 methylmagnesium chloride 

Downstream Products

• 662-15-7 potassium 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate 
• 1093685-50-7 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-[(trans-4-{2-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethoxy]ethyl}cyclohexyl)methyl]benzamide 
• 139220-25-0 bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum 
• 153414-47-2 {(2-methyl-2-phenyl-propylidene)((2,6-dimethylphenyl)imido)molybdenum(VI)bis(hexafluoro-tert-butoxide)} 
• 108945-98-8 {(neopentylidene)(2,6-diisopropylphenylimido)((OC(CH₃)(CF₃)2)2) molybdenum} 

Relevant articles and documents

An improved synthesis for bis(trifluoromethyl)ketene

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1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol preparation method

The invention discloses a 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol preparation method, wherein raw materials such as trifluoroacetone and trifluoromethyl trimethylsilane are subjected to a reactionin an organic solvent in the presence of a catalyst to obtain (1,1-ditrifluoromethyl)ethoxytrimethylsilane, and a hydrolysis reaction is performed to obtain the 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol. According to the present invention, the method has advantages of high yield, low toxicity of reaction raw materials, mild reaction condition and easy operation, and is suitable for industrial production.

Hydrogen bonding between solutes in solvents octan-1-ol and water

The 1:1 equilibrium constants, K, for the association of hydrogen bond bases and hydrogen bond acids have been determined by using octan-1-ol solvent at 298 K for 30 acid-base combinations. The values of K are much smaller than those found for aprotic, rather nonpolar solvents. It is shown that the log K values can satisfactorily be correlated against αH 2?βH2, where αH 2 and βH2 are the 1:1 hydrogen bond acidities and basicities of solutes. The slope of the plot, 2.938, is much smaller than those for log K values in the nonpolar organic solvents previously studied. An analysis of literature data on 1:1 hydrogen bonding in water yields a negative slope for a plot of log K against αH 2?βH2, thus showing how the use of very strong hydrogen bond acids and bases does not lead to larger values of log K for 1:1 hydrogen bonding in water. It is suggested that for simple 1:1 association between monofunctional solutes in water, log K cannot be larger than about -0.1 log units. Descriptors have been obtained for the complex between 2,2,2-trifluoroethanol and propanone, and used to analyze solvent effects on the two reactants, the complex, and the complexation constant.