4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile

CAS Registry Number®

55699-10-0

CAS Name

4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile

Molecular Formula

C14H19NO

Molecular Mass

217.31

Cite this Page

4-(1,1-Dimethylethyl)-3-hydroxy-2,6-dimethylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55699-10-0 (retrieved 2024-11-23) (CAS RN: 55699-10-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=OUKJZHRCKQJXSU-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=C(O)C(C)=C(CC#N)C(C)=C1

Canonical SMILES

N#CCC1=C(C=C(C(O)=C1C)C(C)(C)C)C

Other Names for this Substance

  • 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

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