34105-76-5

Basic information

• Product Name: 3,6-Di-tert-butyl-1,2-benzoquinone-
• Synonyms: 3,6-Di-tert-butyl-1,2-benzoquinone;3,6-Di-tert-butyl-1,2-benzoquinone-;3,6-Ditert-butyl-1,2-benzoquinone;3,6-Di-tert-butyl-3,5-cyclohexadiene-1,2-dione;3,5-Cyclohexadiene-1,2-dione,3,6-bis(1,1-dimethylethyl)-;3,6-Di-tert-butyl-o-benzoquinone
• CAS NO: 34105-76-5
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• Product Categories: Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 34105-76-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 304°Cat760mmHg
• Flash Point: 121.3°C
• Appearance: /
• Density: 1.027g/cm³
• Vapor Pressure: 0.000898mmHg at 25°C
• Refractive Index: 1.504
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 3,6-Di-tert-butyl-1,2-benzoquinone-(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-Di-tert-butyl-1,2-benzoquinone-(34105-76-5)
• EPA Substance Registry System: 3,6-Di-tert-butyl-1,2-benzoquinone-(34105-76-5)

Safety Data

• Hazardous Substances Data: 34105-76-5(Hazardous Substances Data)

Usage

Description

3,6-Di-tert-butyl-1,2-benzoquinone, also known as 3,6-Di-tert-butyl-o-benzoquinone, is an Ortho-Quinone derivative that exhibits a range of biological properties, including antitumoral, antimicrobial, and anti-cardiovascular disease activities. Its molecular structure, featuring two tert-butyl groups at the 3 and 6 positions, contributes to its diverse applications in various industries.

Uses

Used in Pharmaceutical Industry:
3,6-Di-tert-butyl-1,2-benzoquinone is used as an active pharmaceutical ingredient for its antitumoral properties. It targets and inhibits the growth of cancer cells, making it a potential candidate for the development of new cancer treatments.
Used in Antimicrobial Applications:
In the field of microbiology, 3,6-Di-tert-butyl-1,2-benzoquinone is used as an antimicrobial agent to combat bacterial and fungal infections. Its ability to disrupt cellular processes in microorganisms makes it a valuable asset in the development of new antimicrobial drugs and treatments.
Used in Cardiovascular Disease Prevention:
3,6-Di-tert-butyl-1,2-benzoquinone is used as a preventive agent for cardiovascular diseases. Its anti-inflammatory and antioxidant properties help protect the heart and blood vessels from damage, reducing the risk of heart attacks, strokes, and other cardiovascular conditions.
Used in Cosmetics Industry:
In the cosmetics industry, 3,6-Di-tert-butyl-1,2-benzoquinone is used as an ingredient in various skincare and beauty products due to its antioxidant and antimicrobial properties. It helps maintain the freshness and longevity of products while also providing potential skin health benefits.
Used in Agricultural Industry:
3,6-Di-tert-butyl-1,2-benzoquinone is used as a biopesticide in the agricultural industry. Its antimicrobial properties help protect crops from bacterial and fungal infections, ensuring a healthy and productive yield.

InChI:InChI=1/C14H20O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8H,1-6H3

Upstream product

• 15910-86-8 3,6-Di-tert.-butyl-guajacol 
• 15512-06-8 3,6-di-tert-butylbenzene-1,2-diol 
• 20784-84-3 1-Acetoxy-2-hydroxy-3,6-di-tert-butylbenzene 
• 42473-26-7 3,6-di-tert-butyl-2-hydroxyphenoxyl 
• 22385-95-1 2-amino-3,6-di-tert-butyl-phenol 
• 108-88-3 toluene 
• 120-80-9 benzene-1,2-diol 
• 732-26-3 2,4,6-tri-tert-butylphenoxol 
• 20778-61-4 4-Acetoxy-2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one 
• 75-91-2 tert.-butylhydroperoxide 

Downstream Products

• 80284-15-7 3-tert-butyl-5-methoxy-pyrocatechol 
• 62783-44-2 3,6-Di-tert-butyl-4-methoxy-benzene-1,2-diol 
• 77145-10-9 3,6-di-tert-butyl-4-methoxy-1,2-benzoquinone 
• 77145-09-6 3,6-di-tert-butyl-4,5-dimethoxy-1,2-benzoquinone 
• 93378-37-1 3,6-di-tert-butyl-o-quinone dichlorocarbene adduct 
• 67341-93-9 bis(3,6-di-tert-butylphenylene-1,2-dihydroxy)-2-hydroxy-3,6-di-tert-butylphenoxyphosphorane 
• 42473-26-7 3,6-di-tert-butyl-2-hydroxyphenoxyl 
• 19924-24-4 2,2-dimethyl-4,7-di-tert-butyl-1,3-benzodioxolane 
• 15512-06-8 3,6-di-tert-butylbenzene-1,2-diol 
• 23803-85-2 2,5-di-tert-butyl-6-hydroxy-1,4-benzoquinone 
• 105961-85-1 2,5-dihydroxy-3,6-di-tert-butyl-para-benzoquinone 
• 129246-72-6 3,8-dihydroxy-1-methyl-4,7-di-t-butyl-7,8-dihydrobenzofuran 
• 106002-59-9 5,6-dichloro-3,6-di-tert-butyl-3-cyclohexene-1,2-dione 
• 19545-65-4 2,3,5-triacetoxy-1,4-di-tert-butylbenzene 

Relevant articles and documents

REACTION OF 3,6-DI-TERT-BUTYLPYROCATECHOL WITH THIONYL CHLORIDE IN THE PRESENCE OF DIMETHYLFORMAMIDE

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Intramolecular London Dispersion Interactions Do Not Cancel in Solution

We present a comprehensive experimental study of a di-t-butyl-substituted cyclooctatetraene-based molecular balance to measure the effect of 16 different solvents on the equilibrium of folded versus unfolded isomers. In the folded 1,6-isomer, the two t-bu

Solid-phase oxidation of 2,4-di-tert-butylphenol and 3,6-di-tert-butylpyrocatechol in the presence of alkali and alkaline earth metal halides under elastic deformation

Solid-phase oxidation of 2,4-di-tert-butylphenol to give 2,2′,4,4′-tert-butyl-6,6′-bisphenol and of 3,6-di-tert-butylpyrocatechol to afford 3,6-di-tert-butyl-1,2-benzoquinone was performed in the presence of alkali and alkaline earth metals halides under conditions of modified extrusion. The formation of the corresponding metal 3,6-di-tert-butylsemiquinolates was registered by ESR method. The different behavior of chlorides, bromides, and iodides was observed and rationalized basing on the dissimilar complexing ability of halogens. The mechanism of activated oxidation was assumed.