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Basic Information
CAS No.: 646-97-9
Name: 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
Molecular Structure:
Molecular Structure of 646-97-9 (1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol)
Formula: C6H6F6O
Molecular Weight: 208.103
Synonyms: 1,1-Bis(trifluoromethyl)-3-buten-1-ol;4,4-Bis(perfluoromethyl)-4-hydroxy-1-butene;NSC 309805;
EINECS: 613-651-6
Density: 1.36 g/cm3
Boiling Point: 119.311 °C at 760 mmHg
Flash Point: 25.959 °C
Appearance: LIQUID
Hazard Symbols: IrritantXi
Risk Codes: 10-36/37/38
Safety: 16-26-36
PSA: 20.23000
LogP: 2.41820
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Chemistry

Product Name: 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (CAS NO.646-97-9)

Molecular Formula: C6H6F6O
Molecular Weight: 208.10g/mol
Mol File: 646-97-9.mol
Boiling point: 119.3 °C at 760 mmHg
Flash Point: 26 °C
Density: 1.36 g/cm3
Index of Refraction: 1.338 
Molar Refractivity: 31.98 cm3 
Molar Volume: 153 cm3 
Surface Tension: 18.8 dyne/cm
Enthalpy of Vaporization: 41.66 kJ/mol
Vapour Pressure: 7.83 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (CAS NO.646-97-9):
  IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
  Canonical SMILES: C=CCC(C(F)(F)F)(C(F)(F)F)O
  InChI: InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2
  InChIKey: VHSCQANAKTXZTG-UHFFFAOYSA-N 

Safety Profile

Safety Information of 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (CAS NO.646-97-9):
Hazard Codes: XiIrritant
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: 1987
Hazard Note: Irritant
HazardClass: IRRITANT, LACHRYMATOR 

Specification

 1,1,1-Trifluoro-2-(trifluoromethyl)pent-4-en-2-ol , its CAS NO. is 646-97-9, the synonym is 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)- .