1138-52-9

Basic information

• Product Name: 3,5-DI-TERT-BUTYLPHENOL
• Synonyms: 3,5-bis(1,1-dimethylethyl)-pheno;3,5-bis(1,1-dimethylethyl)phenol;3,5-Di-t-butylphenol;Phenol, 3,5-bis(t-butyl);Phenol, 3,5-di-tert-butyl-;LABOTEST-BB LT00053483;3,5-DI-TERT-BUTYLPHENOL;Phenol, 3,5-bis(1,1-dimethylethyl
• CAS NO: 1138-52-9
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.32
• EINECS: 214-513-4
• Product Categories: Aromatic Phenols
• Mol File: 1138-52-9.mol
• Article Data: 23

Chemical Properties

• Melting Point: 87-89 °C(lit.)
• Boiling Point: 281.58°C (estimate)
• Flash Point: 127.153 °C
• Appearance: off-white crystals or powder
• Density: 0.9389 (estimate)
• Vapor Pressure: 0.0028mmHg at 25°C
• Refractive Index: 1.5073 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 10.21±0.10(Predicted)
• Stability: Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.
• CAS DataBase Reference: 3,5-DI-TERT-BUTYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DI-TERT-BUTYLPHENOL(1138-52-9)
• EPA Substance Registry System: 3,5-DI-TERT-BUTYLPHENOL(1138-52-9)

Safety Data

• Hazard Codes: C
• Statements: 34-41
• Safety Statements: 26-36/37/39-45
• RIDADR: 3077
• HazardClass: 9
• PackingGroup: III
• Hazardous Substances Data: 1138-52-9(Hazardous Substances Data)

Usage

Chemical Properties

off-white crystals or powder

InChI:InChI=1/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3

Upstream product

• 22385-77-9 1-bromo-3,5-di-tert-butylbenzene 
• 1756-31-6 1-(3,5-di-tert-butylphenyl)ethanone 
• 98-54-4 para-tert-butylphenol 
• 585-34-2 3-tert-butylphenyol 
• 88-18-6 2-tert-Butylphenol 
• 105071-81-6 (3,5-di-t-butylphenoxy)triphenylbismuth chloride 
• 105071-82-7 (3,5-di-t-butylphenoxy)tetraphenylbismuth 
• 115-11-7 isobutene 
• 108-95-2 phenol 
• 2380-36-1 3,5-di-tert-butylaniline 
• 5128-28-9 4,6-dinitrobenzofuroxan 
• 106-44-5 p-cresol 
• 35492-69-4 3,5-di-t-butylphenoxyl radical 
• 5723-95-5 Essigsaeure-(3,5-di-tert.-butyl-phenylester) 

Downstream Products

• 53405-02-0 cis-1,3-di-tert-butylcyclohexane 
• 3114-67-8 2-Nitro-3,5-di-tert-butyl-phenol 
• 13049-48-4 3,5-di-tert-butylcyclohexanol 
• 1138-51-8 1r,3c-Di-tert.-butyl-cyclohexanon-⁽⁵⁾ 
• 22385-77-9 1-bromo-3,5-di-tert-butylbenzene 
• 1138-49-4 (all,cis)-3,5-Ditert-butyl-cyclohexanol-⁽¹⁾ 
• 1138-49-4 trans,trans-3,5-Di-tert.-butyl-cyclohexanol 
• 93648-10-3 2,6-Dichlor-3,5-di-tert-butyl-phenol 
• 92375-27-4 3,5-di-tert-butyl-2,6-dinitrophenol 
• 92299-40-6 2,6-Dibrom-3,5-di-tert-butyl-phenol 
• 23473-71-4 3,5-Di-tert-butylphenyl-allylether 
• 23473-76-9 2-Allyl-3,5-di-tert-butylphenol 
• 119713-30-3 5-<(3',5'-di-tert-butyl)phenoxy>pentanenitrile 
• 93131-76-1 2,4-Di-t-butylphenyl-nonaflat 

Relevant articles and documents

Development of 3,5-Di- tert -butylphenol as a Model Substrate for Biomimetic Aerobic Copper Catalysis

We develop 3,5-di- tert butylphenol as a strategic substrate for the evaluation of biomimetic Cu 2 -O 2 complexes intended to mimic the activity of tyrosinase. We describe a practical and scalable synthesis and validate its use in an aerobic ortho -oxygenation catalyzed by N, N ′-di- tert -butylethylenediamine and [Cu(CH 3 CN) 4 ]PF 6.

Highly selective conversion of guaiacol to: Tert -butylphenols in supercritical ethanol over a H2WO4 catalyst

The conversion of guaiacol is examined at 300 °C in supercritical ethanol over a H2WO4 catalyst. Guaiacol is consumed completely, meanwhile, 16.7% aromatic ethers and 80.0% alkylphenols are obtained. Interestingly, tert-butylphenols are produced mainly with a high selectivity of 71.8%, and the overall selectivity of 2,6-di-tert-butylphenol and 2,6-di-tert-butyl-4-ethylphenol is as high as 63.7%. The experimental results indicate that catechol and 2-ethoxyphenol are the intermediates. Meanwhile, the WO3 sites play an important role in the conversion of guaiacol and the Br?nsted acid sites on H2WO4 enhance the conversion and favour a high selectivity of the tert-butylphenols. The recycling tests show that the carbon deposition on the catalyst surface, the dehydration and partial reduction of the catalyst itself are responsible for the decay of the H2WO4 catalyst. Finally, the possible reaction pathways proposed involve the transetherification process and the alkylation process during guaiacol conversion.

Preparation method of 3,5-di-tert-butylphenol

The invention relates to the field of organic synthesis, in particular to a preparation method of 3,5-di-tert-butylphenol.The method comprises the following steps of (1) adding 1,3-di-tert-butylbenzene and aluminum trichloride into an organic solvent; performing stirring; adding isopropanol and boron trifluoride diethyl etherate complexes; performing heating and stirring; (2) performing liquid separation and organic phase rectification; (3) adding 1,3-di-tert-butyl-5-isopropyl benzene, benzotrifluoride, N-hydroxyphthalimide, azodiisobutyronitrile and sodium carbonate into a reaction bottle; performing heating and stirring; (4) adding dilute sulphuric acid into reaction liquid obtained in the step (3); performing heating stirring, and still standing layering; performing organic phase rectification and drying; then, obtaining a 3,5-di-tert-butylphenol product. The preparation method provided by the invention has the advantages that the reaction conditions are mild; the preparation process is simple; the product yield is high.