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3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate

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Name

3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate

EINECS N/A
CAS No. 16083-81-1 Density 1.515 g/cm3
PSA 46.53000 LogP 5.23080
Solubility N/A Melting Point N/A
Formula C14H11F15O3 Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 512.21 Flash Point 133 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16083-81-1 (3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate) Hazard Symbols IrritantXi
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);

 

3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate 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

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