ChemicalBook--->CAS DataBase List--->55699-10-0

55699-10-0

55699-10-0 Structure

55699-10-0 Structure
IdentificationBack Directory
[Name]

4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLACETONITRILE
[CAS]

55699-10-0
[Synonyms]

Einecs 259-766-1
Oxymetazoline EP Impurity E
Oxymetazoline Hydrochloride Impurity E
Oxymetazoline hydrochloride EP impurity E
4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile
3,4-TERT-BUTYL-3-HYDROXY-2,6-XYLYLACETONITRILE
Oxymetazoline Impurity 5(Oxymetazoline EP Impurity E)
4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXY PHENYLACETONITRILE
2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile
4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile
3-Hydroxy-4-(1,1-dimethylethyl)-2,6-dimethyl benzeneacetonitrile
Benzeneacetonitrile, 4-(1,1-diMethylethyl)-3-hydroxy-2,6-diMethyl-
"[4-(1,1-dimethylethyl)-3-hydroxy2,6-dimethyl phenyl]acetonitrile."
[EINECS(EC#)]

259-766-1
[Molecular Formula]

C14H19NO
[MDL Number]

MFCD11707218
[MOL File]

55699-10-0.mol
[Molecular Weight]

217.31
Chemical PropertiesBack Directory
[Melting point ]

125 °C(Solv: ethanol (64-17-5))
[Boiling point ]

341.3±37.0 °C(Predicted)
[density ]

1.018±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

11.56±0.28(Predicted)
[color ]

White to Pale Yellow
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3
[InChIKey]

OUKJZHRCKQJXSU-UHFFFAOYSA-N
[SMILES]

N#CCc1c(c(c(cc1C)C(C)(C)C)O)C
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Hazard statements ]

H411
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Crystallization. Melting point 122-130℃.
[Uses]

4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile is an impurity of Oxymetazoline (O876470), a vasoconstrictor used as a nasal decongestant.
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