1988-88-1

Basic information

• Product Name: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE
• Synonyms: AKOS B004237;3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE;3,5-DI-T-BUTYL-4-HYDROXYBENZONITRILE;Benzonitrile, 3,5-di-tert-butyl-4-hydroxy-;4-Cyano-2,6-di-tert-butylphenol;3,5-Bis(tert-butyl)-4-hydroxybenzonitrile;2,6-Bis(tert-butyl)-4-cyanophenol;Benzonitrile,3,5-bis(1,1-diMethylethyl)-4-hydroxy-
• CAS NO: 1988-88-1
• Molecular Formula: C₁₅H₂₁NO
• Molecular Weight: 231.33
• Mol File: 1988-88-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 144 °C
• Boiling Point: 311.2°C at 760 mmHg
• Flash Point: 142°C
• Appearance: /
• Density: 1.01g/cm³
• Vapor Pressure: 0.000313mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE(1988-88-1)
• EPA Substance Registry System: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE(1988-88-1)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1988-88-1(Hazardous Substances Data)

Usage

General Description

3,5-Di-tert-butyl-4-hydroxybenzonitrile is a chemical compound that belongs to the class of organic compounds known as benzonitriles. Benzonitriles are compounds containing a benzene ring bonded to a cyanide group. In 3,5-di-tert-butyl-4-hydroxybenzonitrile, the benzene ring has two tert-butyl groups at the 3 and 5 positions and a hydroxy group(-OH) at the 4 position. Due to its molecular structure, it can exhibit antioxidant properties. However, like other chemicals, it should be handled with appropriate safety measures due to potential hazards. The exact applications of this compound may vary, but it is typically used in research, industrial processes or as a precursor for the synthesis of other chemical substances.

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

Upstream product

• 1139-52-2 4-bromo-2,6-di-tert-butylphenol 
• 1620-98-0 3,5-di-t-butyl-4-hydroxybenzaldehyde 
• 128-37-0 2,6-di-tert-butyl-4-methyl-phenol 
• 40056-43-7 3,5-di-tert-butyl-4-hydroxybenzoyl chloride 
• 787-13-3 3,5-di-tert-butyl-4-hydroxybenzaldehyde oxime 
• 20600-84-4 3,5-di-tert-butyl-4-hydroxyphenyl isocyanide 
• 20137-66-0 4-cyano-2,6-di-t-butylphenoxyl radical 
• 60632-18-0 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzamide 
• 108-24-7 acetic anhydride 

Downstream Products

• 724-46-9 3,5-tertiarybutyl-4-hydroxybenzylamine 
• 1620-64-0 ethyl 4-hydroxy-3,5-di-tert-butylbenzoate 
• 60632-18-0 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzamide 
• 20137-66-0 4-cyano-2,6-di-t-butylphenoxyl radical 
• 4910-06-9 3-bromo-5-tert-butyl-4-hydroxy-benzonitrile 
• 1988-87-0 3-tert-butyl-5-chloro-4-hydroxy-benzonitrile 
• 106838-68-0 3,5-di-tert-butyl-3-chloro-4-oxo-cyclohexa-1,5-dienecarbonitrile 
• 120423-39-4 2-methoxyethyl (3,5-di-tert-butyl-4-hydroxyphenyl)carboximidate hydrochloride 
• 2511-22-0 methyl 3,5-di-tert-butyl-4-hydroxybenzoate 
• 105648-45-1 ethyl iminoester of 4-hydroxy-3,5-di-tert-butylbenzoic acid 
• 3202-93-5 2-(4-hydroxy-3,5-di-tert-butylphenyl) Δ²-imidazoline 
• 1228341-25-0 [Rh2(μ-O2CtBu)4(3,5-di-tert-butyl-4-hydroxybenzonitrile)2] 
• 70-55-3 toluene-4-sulfonamide 
• 128-38-1 4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl 

Relevant articles and documents

Rearrangement fragmentation of aldoxime to isocyanide

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Crystal Engineering and Substituent Effect of Hindered Phenols for SHG Materials

2,6-di-tert-butylphenol moiety was found to be effective to control molecular packing in crystals for SHG materials.Many derivatives having compact acceptor group at 4-position of hindered phenols showed SHG responses depending on the electron withdrawing effect of an acceptor.The X-ray structural analyses revealed that molecular packing was controlled both by the steric requirements and the intermolecular hydrogen bonding.

OXIDATION OF 2,6-DI-tert-BUTYL-4-METHYLPHENOL BY OXYGEN IN AQUEOUS AMMONIA SOLUTION

Both monomeric and dimeric oxidation products are formed during the oxidation of 2,6-di-tert-butyl-4-methylphenol (ionole) by oxygen in a water-propanol solution of ammonia.Two nitrogen-containing compounds 3,3'-5,5'-tetra-tert-butylindophenol and 2,6-di-tert-butyl-4-cyanophenol are also formed, and their amounts in the reaction mixture increase with increase in temperature (45-120 deg C).