7040-43-9

Basic information

• Product Name: 2-TERT-BUTYLFURAN
• Synonyms: 2-TERT-BUTYLFURAN;Furan, 2-(1,1-dimethylethyl)-;2-tert-butylfuran, 97 % GC%
• CAS NO: 7040-43-9
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.18
• Product Categories: Building Blocks;Furans;Heterocyclic Building Blocks
• Mol File: 7040-43-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 119-120 °C(lit.)
• Flash Point: 45 °F
• Appearance: /
• Density: 0.871 g/mL at 25 °C(lit.)
• Vapor Pressure: 5.64mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• CAS DataBase Reference: 2-TERT-BUTYLFURAN(CAS DataBase Reference)
• NIST Chemistry Reference: 2-TERT-BUTYLFURAN(7040-43-9)
• EPA Substance Registry System: 2-TERT-BUTYLFURAN(7040-43-9)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 7040-43-9(Hazardous Substances Data)

Usage

General Description

2-Tert-Butylfuran is a chemical compound characterized by its strong, sweet, solvent-like odor. It is primarily used as a flavoring ingredient and a solvent. The substance has a moderately polar profile and exhibits a furanic structure with an aromatic ether group. Its molecular formula is C9H14O and molecular weight is 138.21 g/mol. While it is generally considered safe for consumption in regulated quantities, it is flammable and a potential skin irritant, so it should be handled with care. The chemical can be naturally found in many types of food like tea, coffee, or fruits.

InChI:InChI=1/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3

Upstream product

• 507-19-7 t-butyl bromide 
• 5857-37-4 2-furylmercuric chloride 
• 110-00-9 furan 
• 60-29-7 diethyl ether 
• 7637-07-2 boron trifluoride 
• 115-11-7 isobutene 
• 507-20-0 tertiary butyl chloride 
• 463-82-1 2,2-dimethylpropane 

Downstream Products

• 1385058-02-5 C₂₂H₂₁NO 

Relevant articles and documents

TERTIARY BUTYLATION OF FIVE MEMBERED HETEROCYCLES. A UPS STUDY

The reaction of 2-chloromercuryfuran and t-butylbromide was studied by UV photoelectron spectroscopy.During the reaction the formation of t-butylfuran, 2,5-di-t-butylfuran, t-butylchloride, isobutylene and furan were found.In accordance with the experimental observations a novel reaction mechanism has been proposed.The first fast and the second slow step of the reaction has been interpreted.The corresponding thiophene derivative gave similar results.

ALKYLATION OF FURAN CATALYZED BY ARENETRICARBONYLMOLYBDENUM

Furan reacted with t-butyl chloride at 130 deg C in the presence of ArMo(CO)3 to yield 2-t-butylfuran and 2,5-di-t-butylfuran.The catalyst was largely deactivated after 12 h.Up to 150 alkylation events occurred per Mo atom.At low conversions (10percent), using a furan/Mo ratio of 1000/1, the yields of 2-t-butylfuran were high (typically 65-80percent).Yields fell sharply with increasing catalyst concentration.Butylation of 2-t-butylfuran occurred more readily than that of furan, and 2,5-di-t-butylfuran was formed in high yield at 30percent conversion.Both furan and 2-t-butylfuran reacted with t-butyl chloride more than 50 times as fast as toluene.Evidence is given that the catalytic species do not contain chloride.