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CAS Number: 55699-10-0
2-(4-(tert-butyl)-3-hydroxy-2,6-dimethylphenyl)acetonitrile

Structure

 2-(4-(tert-butyl)-3-hydroxy-2,6-dimethylphenyl)acetonitrile
Name: 2-(4-(tert-butyl)-3-hydroxy-2,6-dimethylphenyl)acetonitrile
Synonyms:
General Information
Product Number: 55699100

CAS Registry Number 55699-10-0
Name:
Benzeneacetonitrile, 4-?(1,?1-?dimethylethyl)?-?3-?hydroxy-?2,?6-?dimethyl-
Acetonitrile, (4-tert-butyl-3-hydroxy-2,6-xylyl)- (7CI)
4-tert-Butyl-2,6-dimethyl-3-hydroxyphenylacetonitrile
4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile

 

Chemical Formula: C14H19NO
Exact Mass: 217.15
Molecular Weight: 217.31
m/z: 217.15 (100.0%), 218.15 (15.4%), 219.15 (1.3%)

 

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

InChI Key:OUKJZHRCKQJXSU-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C(=C1CC#N)C)O)C(C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 134-139 °C   (1)CAS
Melting Point 125 °C Solv: ethanol (64-17-5) (2)CAS

Specification

98%
References
  1. (1) Spivack, John D.; US 3988363 A 1976 CAPLUS
  2. (2) Fruhstorfer, Wolfgang; DE 1117588 1961 CAPLUS
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