CAS No.161981-34-6,6-(PERFLUOROETHYL)HEXANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	161981-34-6
Name:	6-(PERFLUOROETHYL)HEXANOL

Formula:	C₈H₁₃F₅O
Molecular Weight:	220.183
Synonyms:	7,7,8,8,8-Pentafluoro-1-octanol;7,7,8,8,8-Pentafluorooctanol;
Density:	1.187 g/cm³
Boiling Point:	171.5 °C at 760 mmHg
Flash Point:	57.5 °C
Hazard Symbols:	F
Safety:	23
PSA:	20.23000
LogP:	3.12680

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Specification

The 1-Octanol,7,7,8,8,8-pentafluoro-, with the CAS registry number 161981-34-6, is also known as 6-(Perfluoroethyl)hexanol. This chemical's molecular formula is C₈H₁₃F₅O and molecular weight is 220.18. What's more, its systematic name is 7,7,8,8,8-Pentafluorooctan-1-ol.

Physical properties of 1-Octanol,7,7,8,8,8-pentafluoro- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.25; (6)ACD/BCF (pH 7.4): 23.25; (7)ACD/KOC (pH 5.5): 330.87; (8)ACD/KOC (pH 7.4): 330.87; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.364; (14)Molar Refractivity: 41.39 cm³; (15)Molar Volume: 185.4 cm³; (16)Polarizability: 16.41×10^-24 cm³; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 1.187 g/cm³; (19)Flash Point: 57.5 °C; (20)Enthalpy of Vaporization: 47.49 kJ/mol; (21)Boiling Point: 171.5 °C at 760 mmHg; (22)Vapour Pressure: 0.443 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
Do not breathe gas/fumes/vapour/spray of the chemical (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(CCCCCCO)C(F)(F)F;
(2)InChI: InChI=1/C8H13F5O/c9-7(10,8(11,12)13)5-3-1-2-4-6-14/h14H,1-6H2;
(3)InChIKey: JVIIYFXMBLZGQO-UHFFFAOYAI