98-23-7

Basic information

• Product Name: 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE
• Synonyms: 5-(1,1-dimethylethyl)-1,2,3-trimethyl-benzen;Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-;1-TERT-BUTYL-3,4,5-TRIMETHYLBENZENE;5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE;5-TERT-BUTYLHEMIMELLITENE;TIMTEC-BB SBB007764;5-t-Butyl-1,2,3-trimethylbenzene;1,2,3-Trimethyl-5-tert-butylbenzene
• CAS NO: 98-23-7
• Molecular Formula: C₁₃H₂₀
• Molecular Weight: 176.3
• EINECS: 202-648-1
• Mol File: 98-23-7.mol

Chemical Properties

• Melting Point: 31-33°C
• Boiling Point: 114-115°C 17mm
• Flash Point: 114-115°C/17mm
• Appearance: /
• Density: 0.86g/cm³
• Vapor Pressure: 0.0685mmHg at 25°C
• Refractive Index: 1.488
• BRN: 2076153
• CAS DataBase Reference: 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE(98-23-7)
• EPA Substance Registry System: 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE(98-23-7)

Safety Data

• Safety Statements: 24/25
• TSCA: Yes
• Hazardous Substances Data: 98-23-7(Hazardous Substances Data)

Usage

Uses

Used in Chemical Industry:
5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE is used as a solvent for its ability to dissolve various substances, facilitating numerous industrial processes.
Used as an Intermediate in Chemical Production:
5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE serves as a crucial intermediate in the synthesis of other chemicals, contributing to the development of a range of products.
Used in Perfumery and Personal Care Products:
5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE is used as a fragrance ingredient in perfumes and personal care products, adding a pleasant scent to these consumer goods.
Safety Measures:
When handling 5-TERT-BUTYL-1,2,3-TRIMETHYLBENZENE, it is important to implement appropriate safety measures to mitigate the risk of irritation to the skin, eyes, and respiratory system, especially in environments with high concentrations of the chemical.

InChI:InChI=1/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3

Upstream product

• 507-20-0 tertiary butyl chloride 
• 95-63-6 1,2,4-Trimethylbenzene 
• 98-19-1 5-tert-Butyl-m-xylene 
• 67-64-1 acetone 
• 75-65-0 tert-butyl alcohol 
• 19387-83-8 4-tert-butyl-2,6-dimethylbenzyl chloride 
• 77-78-1 dimethyl sulfate 
• 526-73-8 1,2,3-trimethylbenzene 

Downstream Products

• 16358-70-6 2-bromo-1-tert-butyl-3,4,5-trimethylbenzene 
• 685567-46-8 6-tert-butyl-2,3,4-trimethyl-benzyl chloride 
• 526-73-8 1,2,3-trimethylbenzene 
• 68717-02-2 5-tert-Butyl-2,3-dimethylbenzylnitrit 
• 68717-06-6 5-tert-Butyl-1,2-dimethyl-3-nitromethyl-benzene 
• 68717-03-3 5-tert-Butyl-1,2,3-trimethyl-4-nitrobenzol 
• 5182-64-9 1-tert-butyl-2-iodo-3,4,5-trimethylbenzene 
• 1625-92-9 4-tert-butylbiphenyl 
• 98-51-1 4-tert-butyltoluene 
• 145-39-1 1-tert-butyl-4,3,5-trimethyl-2-amino-6-nitrobenzene 
• 16358-82-0 6-tert-butyl-2,3,4-trimethyl-benzaldehyde 
• 16372-46-6 6-tert-butyl-2,3,4-trimethylbenzoic acid 
• 101115-71-3 2-tert-butyl-4,5,6-trimethyl-3-nitro-benzoic acid 

Relevant articles and documents

Synthesis of 5-tert-butyl-1,2,3-trimethylbenzene catalyzed by [Et3NH]Cl–AlCl3

Common Lewis acids and Lewis acidic ionic liquid catalysts were applied in the synthesis of 5-tert-butyl-1,2,3-trimethylbenzene from 1,2,3-trimethylbenzene and 2-chloro-2-methylpropane, where [Et3NH]Cl–AlCl3 demonstrated the most promising catalytic potential. The effects of reaction time, temperature, catalyst composition and dosage have been systematically studied in the presence of [Et3NH]Cl–AlCl3. The maximum selectivity of 90.32% was achieved upon heating at 10°C for 5 h with a mass fraction of [Et3NH]Cl–AlCl3 to 1,2,3-trimethylbenzene of 10%. Activity of the ionic liquid catalyst remained high after several cycles.