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