3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione

3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione - Names and Identifiers

Name	3,5-Di-tert-butyl-o-benzoquinone
Synonyms	Dibutylbenzoquinone 3,5-Di-tert-butyl-o-benzoquinone 3,5-Di-tert-butyl-1,2-benzenedione o-Benzoquinone, 3,5-di-tert-butyl- 3,5-di-tert-Butyl-ortho-benzoquinone 3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione 4,6-Ditert-butyl-3,5-cyclohexadiene-1,2-dione 3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-
CAS	3383-21-9
EINECS	222-189-0
InChI	InChI=1/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3

3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione - Physico-chemical Properties

Molecular Formula	C14H20O2
Molar Mass	220.31
Density	1.0106 (rough estimate)
Melting Point	112-114°C(lit.)
Boling Point	321.25°C (rough estimate)
Flash Point	120.6°C
Solubility	Chloroform (Sparingly), Methanol (Very Slightly)
Vapor Presure	0.000976mmHg at 25°C
Appearance	Solid
Color	Very Dark Green to Very Dark Brown
BRN	2047944
Storage Condition	Sealed in dry,Room Temperature
Stability	Stable. Incompatible with reducing agents, strong oxidizing agents.
Refractive Index	1.4970 (estimate)
MDL	MFCD00001647

3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29146990

3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione - Introduction

3, is an organic compound with the chemical formula C14H18O2. It presents a white to yellow solid crystal with a special smell.

Nature:
- 3, is a strong oxidant, easy to oxidize with other substances.
-Its melting point is about 122-126 degrees Celsius, and its boiling point is 340 degrees Celsius.
-At room temperature, it is soluble in organic solvents such as ethanol and toluene, but insoluble in water.

Use:
- 3, often used in organic synthesis as an oxidant, and participate in a series of oxidation reactions, such as hydrogen deoxidation reaction and oxidative dehydrogenation reaction.
-It is also used as a positive electrode material in some batteries.
-In addition, it can also be used in some chemical analysis methods.

Preparation Method:
- 3, the preparation of tert-butyl phenol can be completed by oxidation. An oxidizing agent is typically used in the reaction to convert t-butylphenol to 3,5-di-t-butylo-phenol, which is then oxidized to 3-phosphonium by a series of reaction steps.

Safety Information:
- 3, has a certain toxicity, should be used with care.
-During the operation, avoid contact with skin and eyes, and maintain good ventilation conditions.
-It is also flammable and should be kept away from fire and high temperature.
-Follow the safe handling of chemicals during handling and storage.

Last Update：2024-04-10 22:29:15