4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile
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4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile
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CAS No:
55699-10-0
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Formula:
C14H19NO
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Chemical Name:
4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethyl-;Acetonitrile,(4-tert-butyl-3-hydroxy-2,6-xylyl)-;4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile;4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile;4-tert-Butyl-2,6-dimethyl-3-hydroxyphenylacetonitrile;2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile
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CAS No:
4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile Basic Attributes
217.30700
217.31
259-766-1
2926909090
Characteristics
44.02000
3.37258
1.018g/cm3
125 °C @ Solvent: Ethanol
341.3ºC at 760 mmHg
160.2ºC
1.527
Safety Information
|H411 (98.88%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 89 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:217.31
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:217.146664230
Monoisotopic Mass:217.146664230
Topological Polar Surface Area:44
Heavy Atom Count:16
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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