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化合物简介
4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile is an impurity of Oxymetazoline, a vasoconstrictor used as a nasal decongestant.
基本信息
CAS：55699-10-0
中文别名：4-叔丁基-3-羟基-2,6-二甲苯基乙腈;
英文别名：Einecs 259-766-1;4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile;3-Hydroxy-4-(1,1-dimethylethyl)-2,6-dimethyl benzeneacetonitrile;2,6-dimethyl-3-hydroxy-4-t-butylphenylacetonitrile;4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile;4-t-butyl-2,6-dimethyl-3-hydroxy-1-phenylacetonitrile;4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXY PHENYLACETONITRILE;4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile;Benzeneacetonitrile,4-(1,1-diMethylethyl)-3-hydroxy-2,6-diMethyl;
分子式：C14H19NO
分子量：217.307
精确质量：217.147
Psa：44.02
Logp：3.37258
中文别名：4-叔丁基-3-羟基-2,6-二甲苯基乙腈;
英文别名：Einecs 259-766-1;4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile;3-Hydroxy-4-(1,1-dimethylethyl)-2,6-dimethyl benzeneacetonitrile;2,6-dimethyl-3-hydroxy-4-t-butylphenylacetonitrile;4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile;4-t-butyl-2,6-dimethyl-3-hydroxy-1-phenylacetonitrile;4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXY PHENYLACETONITRILE;4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile;Benzeneacetonitrile,4-(1,1-diMethylethyl)-3-hydroxy-2,6-diMethyl;
分子式：C14H19NO
分子量：217.307
精确质量：217.147
Psa：44.02
Logp：3.37258
编号系统
MDL号：MFCD11707218
物化性质
密度：1.018g/cm3
沸点：341.3ºC at 760 mmHg
闪点：160.2ºC
折射率：1.527
沸点：341.3ºC at 760 mmHg
闪点：160.2ºC
折射率：1.527
安全信息
海关编码：2926909090
生产方法及用途
合成路线
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参考文献
Raju, B.; Rao, G. S. Krishna Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 469 - 470
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict
