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CAS Number: 1988-88-1
3,5-di-tert-butyl-4-hydroxybenzonitrile

Structure

3,5-di-tert-butyl-4-hydroxybenzonitrile
Name: 3,5-di-tert-butyl-4-hydroxybenzonitrile
Synonyms:
General Information
Product Number: 1988881

CAS Registry Number 1988-88-1
Name:
Benzonitrile, 3,​5-​bis(1,​1-​dimethylethyl)​-​4-​hydroxy-
Benzonitrile, 3,5-di-tert-butyl-4-hydroxy- (6CI,7CI,8CI)
2,6-Di-tert-butyl-4-cyanophenol
3,5-Di-tert-butyl-4-hydroxybenzonitrile
4-Cyano-2,6-di-tert-butylphenol
NSC 226258

 

Chemical Formula: C15H21NO
Exact Mass: 231.16
Molecular Weight: 231.33
m/z: 231.16 (100.0%), 232.17 (16.5%), 233.17 (1.5%)

 

InChI:InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3

InChI Key:AKXIIOLURNATOC-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

 

Thermal Properties Value Condition Note
Boiling Point 140-142 °C   (1)CAS
Melting Point 142 °C   (7)CAS
Melting Point 140 °C   (7)CAS
Melting Point 139-140 °C   (1)CAS

Specification

98%

References
  1. (1) Rieker, Anton; Chemische Berichte 1965, V98(3), P715-21 CAPLUS
  2. (7) Mueller, Eugen; Annalen der Chemie, Justus Liebigs 1964, V673, P40-59 CAPLUS
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