453-43-0

Basic information

• Product Name: 1,1,1-TRIFLUORO-2-OCTANOL
• Synonyms: 1,1,1-TRIFLUORO-2-OCTANOL;1,1,1-trifluorooctan-2-ol;1,1,1-Trifluorooctan-2-ol 97%;1,1,1-Trifluorooctan-2-ol97%;1-(Trifluoromethyl)heptan-1-ol
• CAS NO: 453-43-0
• Molecular Formula: C₈H₁₅F₃O
• Molecular Weight: 184.2
• EINECS: 207-220-8
• Mol File: 453-43-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 170 °C(lit.)
• Flash Point: 164 °F
• Appearance: /
• Density: 1.05 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.384(lit.)
• CAS DataBase Reference: 1,1,1-TRIFLUORO-2-OCTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-TRIFLUORO-2-OCTANOL(453-43-0)
• EPA Substance Registry System: 1,1,1-TRIFLUORO-2-OCTANOL(453-43-0)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 23-24/25
• WGK Germany: 3
• TSCA: T
• HazardClass: IRRITANT
• Hazardous Substances Data: 453-43-0(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Strong, fruity

Usage

Solvent in various chemical processes

Primary application

Intermediate for the synthesis of pharmaceuticals, agrochemicals, and fragrances

Additional application

Intermediate in the production of fluorinated surfactants and polymers

Classification

Fluorinated alcohol

Value

Valuable in organic synthesis and development of new materials due to unique properties

Safety precautions

Handle with caution, may be harmful if inhaled, ingested, or comes into contact with skin

InChI:InChI=1/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3

Upstream product

• 400-60-2 1,1,1-trifluoro-2-octanone 
• 111-71-7 heptanal 
• 75-46-7 trifluoromethan 
• 3761-92-0 n-hexylmagnesium bromide 
• 407-65-8 1,1,1-trifluoro-oct-2-ene 
• 75-63-8 Bromotrifluoromethane 
• 76-05-1 trifluoroacetic acid 
• 383-63-1 ethyl trifluoroacetate, 
• 60-29-7 diethyl ether 
• 927-77-5 n-propylmagnesium bromide 

Downstream Products

• 136386-03-3 1,1,1-trifluoro-2-octyl 2-fluoro-4-hydroxybenzoate 
• 124015-10-7 1,1,1-trifluoro-2-octyl 4-benzyloxybenzoate 
• 121170-45-4 (2R)-1,1,1-trifluorooctan-2-ol 
• 129443-08-9 (S)-(-)-1,1,1-trifluoro-2-octanol 
• 144214-63-1 4-(1-trifluoromethylheptyloxymethyl)benzoic acid 
• 124255-14-7 4-(1,1,1-trifluoro-2-octyloxycarbonyl) benzoate 
• 329-06-6 acetic acid-(1-trifluoromethyl-heptyl ester) 

Relevant articles and documents

Syntheses of (R)- and (S)-enantiomeric 1,1,1-trifluoromethyl-2-alkanols with high enantiomeric purity controlled through derivatization with l-menthyl phthalate

Readily available l-menthyl phthalate has been shown to be an effective derivatizing agent for determination of the enantiomeric purity of alkyl- and aryl-substituted 1,1,1-trifluoromethyl-2-alkanols using HPLC and GC. It has been shown that a previously described protocol for one-step enzymatic kinetic resolution results in the formation of the desired 1,1,1-trifluoromethyl-2-alkanols with 96-98% ee. Enrichment of the (R)-isomer of trifluoromethyl alkanols by repetition of the enzymatic hydrolysis procedure was found to increase the ee up to 99.9%. Furthermore, excessive conversion of the corresponding esters during enzymatic hydrolysis allowed enantiomerically pure (S)-1,1,1-trifluoromethyl-2-alkanols to be obtained.

An exceptional hydroboration of substituted fluoroolefins providing tertiary alcohols

Figure presented A rare hydroboration-oxidation providing 3°-alcohols has been achieved in the case of 1,1,2-perfluoroalkyl(aryl)ethylenes. The hydroboration of substituted perfluoroalkyl(aryl)ethylenes with dichloroborane reveals that the regioselectivit

Liquid crystal material, liquid crystal composition and liquid crystal element

Disclosed is a liquid crystal material represented by the following formula [I]: wherein R is an alkyl or polyfluoroalkyl group; X is a group such as --COO--, or a single bond; n is 0 or 1; A1, A2 and A3 are each a cyclic group such as tetralin, and at least one of them has an optically active group; Y1 and Y2 are each a group such as --COO--; Z is a group such as --O--, or a single bond; and R* is an optically active group. Also disclosed are a liquid crystal composition comprising the liquid crystal material represented by the above formula, and a liquid crystal element in which the liquid crystal material is used. The liquid crystal material of the invention shows excellent liquid crystal characteristics because it has at least two optically active groups.