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Basic Information
CAS No.: 454-63-7
Name: 3-(trifluoromethyl)cyclohexanol
Article Data: 4
Molecular Structure:
Molecular Structure of 454-63-7 (3-(trifluoromethyl)cyclohexanol)
Formula: C7H11F3O
Molecular Weight: 168.159
Synonyms: 3-Trifluoromethylcyclohexanol;cyclohexanol, 3-(trifluoromethyl)-;
Density: 1.231 g/cm3
Boiling Point: 160.4 °C at 760 mmHg
Flash Point: 69.2 °C
Hazard Symbols: IrritantXi
Risk Codes: R10; R36/37/38
Safety: S16;S36; S26
PSA: 20.23000
LogP: 2.09980
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Chemistry

Molecular Structure of 3-(trifluoromethyl)cyclohexanol (CAS NO.22419-35-8): 

Empirical Formula: C7H11F3O
Molecular Weight: 168.1568
CAS: 454-63-7
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.413
Molar Refractivity: 34.04 cm3
Molar Volume: 136.5 cm3
Surface Tension: 29.2 dyne/cm
Density: 1.231 g/cm3
Flash Point: 69.2 °C
Enthalpy of Vaporization: 46.23 kJ/mol
Boiling Point: 160.4 °C at 760 mmHg
Vapour Pressure: 0.836 mmHg at 25°C
SMILES: FC(F)(F)C1CC(O)CCC1
InChI: InChI=1/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 10-36/37/38
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: 1993
Hazard Note: Irritant

Specification

  3-(trifluoromethyl)cyclohexanol , with CAS number of 22419-35-8, can be called cyclohexanol, 3-(trifluoromethyl)- ; 3-(Trifluoromethyl)cyclohexanol,cis/trans .