[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate
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![[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b50090bb351341e48422f6247c5dc7a1.png "[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate")
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate
structure -
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CAS No:
16083-79-7
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Formula:
C12H11F11O3
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Chemical Name:
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate
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Synonyms:
PC6104D;
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CAS No:
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate Basic Attributes
412.19600
412.05325399
DTXSID80379882
2916140000
Characteristics
46.53000
3.96020
1.456g/cm3
271.8ºC
118.2ºC
n20/D 1.374(lit.)
Keep Cold
0.000824mmHg at 25°C
Safety Information
R36/37/38
S26; S36
Xi; F
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate Use and Manufacturing
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Computed Properties
Molecular Weight:412.20
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:412.05325399
Monoisotopic Mass:412.05325399
Topological Polar Surface Area:46.5
Heavy Atom Count:26
Complexity:522
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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