29072-93-3

Basic information

• Product Name: Propyl tert-butyl ether
• Synonyms: Propyl tert-butyl ether;tert-Butylpropyl ether;Propane, 2-Methyl-2-propoxy-;2-propoxy-2-methylpropane;tert-Butyl propylether (TBP)
• CAS NO: 29072-93-3
• Molecular Formula: C₇H₁₆O
• Molecular Weight: 116.2
• Mol File: 29072-93-3.mol

Chemical Properties

• Melting Point: -95.35°C (estimate)
• Boiling Point: 97.45°C
• Flash Point: 5°C
• Appearance: /
• Density: 0.7472
• Vapor Pressure: 47.9mmHg at 25°C
• Refractive Index: 1.3830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: Propyl tert-butyl ether(CAS DataBase Reference)
• NIST Chemistry Reference: Propyl tert-butyl ether(29072-93-3)
• EPA Substance Registry System: Propyl tert-butyl ether(29072-93-3)

Safety Data

• Hazardous Substances Data: 29072-93-3(Hazardous Substances Data)

Usage

Uses

Used in Fuel Industry:
Propyl tert-butyl ether is used as a fuel additive for improving the combustion efficiency of gasoline, thereby reducing harmful emissions and enhancing the overall performance of the fuel.
Used in Environmental Applications:
PTBE serves as an environmental modifier, contributing to the reduction of pollutants in the atmosphere by improving the combustion process of gasoline, which is crucial for lowering the environmental impact of fuel consumption.

InChI:InChI=1/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3

Upstream product

• 107-08-4 1-iodo-propane 
• 865-48-5 sodium t-butanolate 
• 71-23-8 propan-1-ol 
• 75-65-0 tert-butyl alcohol 
• 115-11-7 isobutene 
• 507-19-7 t-butyl bromide 
• 106-94-5 propyl bromide 
• 6819-41-6 sodium n-propoxide 
• 865-47-4 potassium tert-butylate 
• 1116-61-6 tripropylborane 
• 75-91-2 tert.-butylhydroperoxide 

Downstream Products

• 115-11-7 isobutene 
• 71-23-8 propan-1-ol 

Relevant articles and documents

METHOD FOR PRODUCING ASYMMETRIC ALKYL ETHER HAVING TERTIARY ALKYL GROUP

PROBLEM TO BE SOLVED: To provide a method capable of obtaining an asymmetric alkyl ether having a tertiary alkyl group easily and industrially. SOLUTION: (1) There is provided a method for producing an asymmetric alkyl ether having a tertiary alkyl group by subjecting a tertiary alcohol and a primary alcohol or a secondary alcohol to a dehydration reaction using activated clay as a catalyst. (2) There is provided the method for producing an asymmetric alkyl ether having a tertiary alkyl group according to (1), where the tertiary alcohol is any one selected from the group consisting of tert-butanol, tert-amylalcohol and 1-adamantyl alcohol. SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

Kinetics of the reactions of tert-butanol with C2-C5 alcohols on sulfo cation exchangers

The kinetics of etherification of tert-butanol with aliphatic alcohols on gel KU-2×8 and macroporous KU-23 sulfo cation exchangers was studied. The first order of reaction with respect to tert-butanol and the -SO3H groups of a catalyst was established. The activation energy of the process observed on KU-2×8 was 60-95 kJ/mol. It was shown that the etherification of tert-butanol on KU-2×8 occurred in a surface layer. The reactivity of primary alcohols introduced into the reaction with tert-butanol increased with their molecular weights (C2-C5). The rate of reaction with secondary alcohols was lower than that with primary alcohols.

On the miscibility of ethers and perfluorocarbons. An experimental and theoretical study

Despite their significant polar character, some organic ethers such as diethyl ether were found to be miscible with perfluorocarbon solvents. Solubilities of various ethers in perfluorocarbons and miscibility temperatures were determined. These properties were found to be greatly dependent on the polarity but also size and shape of the ether molecule. Theoretical calculations of the miscibility temperatures of organic solvents and perfluorocarbons using COSMO-RS method were correlated with experimental data. Considering the difficulties in the accurate description of the macroscopic properties, such as miscibility temperatures, from the first principles, the agreement between experimental and theoretical data is reasonable.

Specifics of the synthesis of some alkyl tert-alkyl ethers and their thermodynamic properties

The conditions of synthesis and isolation of pure (98-99%) and extra pure (>99.9%) alkyl tert-alkyl ethers containing six to eight carbon atoms in their molecule, which are used as high-octane additives to motor fuels, were studied. The key thermodynamic properties, including melting point, density, saturated vapor pressure, enthalpy of vaporization at 298.15 K, normal boiling point, and critical parameters, obtained by experimental and calculation methods, are given. Copyright

Equilibrium of the reactions of propyl-tert-butyl ethers' synthesis in gas phase

Equilibrium in the reactions of N-propyl and isopropyl alcohols with isobutylene in gas phase was investigated at 383-413 K. Thermodynamic characteristics were determined from the equilibrium constants for the N-propyl alcohol reaction.

Hydrolysis and Alcoholysis of Esters of o-Nitrobenzenesulfonic Acid

The rate of solvolysis of esters of o-nitrobenzenesulfonic acid with water and C1-C4 alcohols is satisfactorily described by two-parametric Hammett-Taft equation with predominating effect of the electronic factor σ*. The effect of the structure of the hydrocarbon rest in the sulfonic ester group does not fit to this relationship.

Solvent and Temperature Effects on the Rate Constants of Solvolysis of tert-Butyl Bromide in Mono- and Di-alcohols

Rate constants, k, for the solvolytic reactions of 2-bromo-2-methylpropane (ButBr) in the monoalcohols propan-1-ol and butan-1-ol and in the dialcohols ethane-1,2-diol, propane-1,3-diol and butane-1,4-diol are reported, at different temperatures.These values, the Arrhenius activation energies, Ea, and the thermodynamic functions of activation, Gibbs energy (Δ/GΘ), enthalpy (Δ/HΘ) and entropy (Δ/SΘ) are interpreted and compared with previous results in methanol and ethanol.According to the intersecting-state model, the reaction-energy profile is shaped and the solvent effect on the Gibbs energy of activation, Δ/GΘ, is analysed.At the molecular level, the dominant solvent-solute interactions are examined.The results show that changes in Ea (or Δ/HΘ) most affect the changes in the k values when dialcohols are used in place of monoalcohols; Δ/SΘ seems to control the differences in the k values within the set of monoalcohols.

IODINE MEDIATED SYNTHESIS OF ALKYL TERTIO-ALKYL ETHERS

Mixed alkyl t-alkyl ethers have been prepared by the selective coupling of the alcohol precursors.Dehydration was promoted by iodine under hydrogen pressure at 100 deg C.

SYNTHETIC APPLICATION OF MICELLAR CATALYSIS. WILLIAMSON'S SYNTHESIS OF ETHERS

A simple, rapid and efficient procedure for the preparation of di-alkyl, simple phenyl-alkyl and hindered phenyl-alkyl ethers has been developed.Based on the principle of micellar catalysis the method involves alkylation of the alkoxide or the phenoxide ion with an alkyl chloride at 80 deg C in the presence of cationic micelles.For the preparation of phenyl-alkyl ethers normal micelles were used, while for the di-alkyl ethers reverse micelles were more effective.By increasing the ionic strength of the solution the rate of formation of phenyl-alkyl ethers could be increased.