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Merck
CN

444014

1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol

97%

Synonym(s):

1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-methylpropane, 1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 1,1,1-Trifluoro-2-trifluoromethyl-2-propanol, 1,1-Bis(trifluoromethyl)ethanol, 2-Methylhexafluoro-2-propanol, Hexafluoro-tert-butanol, Hexafluoro-tert-butyl alcohol

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About This Item

Linear Formula:
CH3C(CF3)2OH
CAS Number:
1515-14-6
Molecular Weight:
182.06
EC Number:
216-155-4
MDL number:
MFCD00039259
UNSPSC Code:
12352100
PubChem Substance ID:
24868095
NACRES:
NA.22

Key Documents

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Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.3 (lit.)

bp

60-62 °C (lit.)

density

1.484 g/mL at 25 °C (lit.)

functional group

fluoro
hydroxyl

SMILES string

CC(O)(C(F)(F)F)C(F)(F)F

InChI

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

InChI key

FQDXJYBXPOMIBX-UHFFFAOYSA-N

Related Categories

Application

1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol can be used as a reactant to synthesize:
  • Ethyl zinc fluoroalkoxide complexes by using diethyl zinc.
  • Vanadium-alkylidene complexes in the presence of hexane.
  • 1,1,1,3,3,3-Hexafluoro-2-methyl-2-propylperchlorate using NaH and dichlorine heptoxide in carbon tetrachloride.
It can also be used as a solvent to prepare cyclodextrin-assembled material.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9734
MKCX3557
MKCW6349
MKCR0844
MKCS0178

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Toshiyuki Kida et al.
Chemical communications (Cambridge, England), 50(91), 14245-14248 (2014-10-07)
We found that cyclodextrins (CDs) have a high solubility in 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP). Evaporating HFIP from CD solutions on a glass plate gave crystalline solids composed of channel-type CD assemblies, and electrospinning with an HFIP solution of CDs fabricated CD microfibers.
Synthesis of ethyl zinc fluoroalkoxide complexes and the crystal structure of [EtZn (py){?-OCH (CF3)2}]2
Suh S, et al.
Polyhedron, 27, 513-516 (2008)
Inorganic Chemistry, 33, 5463-5463 (1994)
Reactions of dichlorine heptoxide with alcohols
Baum, K, et al.
Journal of the American Chemical Society, 96, 3233-3237 (1974)
Chemistry of Materials, 7, 929-929 (1995)
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