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2-Propenoic acid,2-methyl-,4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester (16083-81-1)

Identification
Name:2-Propenoic acid,2-methyl-,4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester
Synonyms:Methacrylicacid, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylester (8CI);1,2-Nonanediol,4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)-, 1-methacrylate (8CI);
CAS:16083-81-1
Molecular Formula: C14H11F15O3
Molecular Weight: 512.21
InChI: InChI=1/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3
Molecular Structure: (C14H11F15O3) Methacrylicacid, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylester (8CI);...
Properties
Flash Point: >110 ºC
Boiling Point: 270 ºC
Density:1.561
Refractive index:1.368
Specification:

The cas register number of 3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate is 16083-81-1. It also can be called as 2-Propenoic acid, 2-methyl-, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester and the Systematic name about this chemical is 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl 2-methylprop-2-enoate.

Physical properties about 3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate are: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 42687.81; (6)ACD/BCF (pH 7.4): 42687.67; (7)ACD/KOC (pH 5.5): 71771.94; (8)ACD/KOC (pH 7.4): 71771.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.345; (14)Molar Refractivity: 71.96 cm3; (15)Molar Volume: 337.9 cm3; (16)Surface Tension: 20.7 dyne/cm; (17)Density: 1.515 g/cm3; (18)Flash Point: 133 °C; (19)Enthalpy of Vaporization: 62.19 kJ/mol; (20)Boiling Point: 296.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000149 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(CC(O)COC(=O)\C(=C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
2.InChI: InChI=1/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3
3.InChIKey: RPDBRTLKDYJCCE-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3

Flash Point: >110 ºC
Storage Temperature: Keep Cold
Safety Data
Hazard Symbols Xi: Irritant
 

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