367-64-6

Basic information

• Product Name: N-BUTYL TRIFLUOROACETATE
• Synonyms: Acetic acid, trifluoro-, butyl ester;aceticacid,trifluoro-,butylester;CF3C(O)O(CH2)3CH3;ethanoicacid,trifluoro-,butylester;Trifluoroacetic acid, n-butyl ester;trifluoro-aceticacidbutylester;1-BUTYL TRIFLUOROACETATE;BUTYL TRIFLUOROACETATE
• CAS NO: 367-64-6
• Molecular Formula: C₆H₉F₃O₂
• Molecular Weight: 170.13
• EINECS: 206-699-0
• Mol File: 367-64-6.mol

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 15°C
• Appearance: /
• Density: 1.027
• Refractive Index: 1.353
• CAS DataBase Reference: N-BUTYL TRIFLUOROACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: N-BUTYL TRIFLUOROACETATE(367-64-6)
• EPA Substance Registry System: N-BUTYL TRIFLUOROACETATE(367-64-6)

Safety Data

• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-23-45-36/37/39-26
• RIDADR: 3272
• HazardClass: FLAMMABLE
• Hazardous Substances Data: 367-64-6(Hazardous Substances Data)

Usage

Uses

Used in Perfume and Fragrance Industry:
N-BUTYL TRIFLUOROACETATE is used as a solvent for its ability to dissolve and stabilize fragrance ingredients, contributing to the production of perfumes and other fragrance products. Its fruity odor enhances the sensory experience of these products.
Used in Chemical Synthesis:
N-BUTYL TRIFLUOROACETATE serves as an intermediate in the synthesis of other chemical compounds, playing a crucial role in the creation of a variety of products through chemical reactions.
Used in Cleaning and Degreasing Products:
N-BUTYL TRIFLUOROACETATE is also utilized in some cleaning and degreasing products due to its solvent properties, which help in the removal of dirt, grease, and other contaminants.
Safety Considerations:
It is imperative to adhere to safety guidelines when handling N-BUTYL TRIFLUOROACETATE, as it can be harmful if inhaled or ingested and can cause skin and eye irritation. Its flammable nature further underscores the importance of proper handling and storage to prevent accidents.

InChI:InChI=1/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3

Upstream product

• 928-45-0 butyl nitrate 
• 76-05-1 trifluoroacetic acid 
• 96-63-9 trifluoroacetic anhydride 
• 71-36-3 butan-1-ol 
• 407-25-0 trifluoroacetic anhydride 
• 56-23-5 tetrachloromethane 
• 60-29-7 diethyl ether 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 347-89-7 benzoic trifluoroacetic anhydride 
• 542-69-8 1-iodo-butane 
• 61550-02-5 (furan-2-yloxy)-trimethylsilane 
• 2966-50-9 silver trifluoroacetate 
• 628-81-9 butyl ethyl ether 
• 400-53-3 trimethylsilyl trifluoroacetate 

Downstream Products

• 356-46-7 3-trifluoromethyl-pentan-3-ol 
• 431-36-7 1,1,1-trifluoro-2-butanol 
• 75-89-8 2,2,2-trifluoroethanol 
• 7332-00-5 n-butylazide 
• 7387-69-1 N-benzyl-2,2,2-trifluoroacetamide 
• 71-36-3 butan-1-ol 
• 142-96-1 dibutyl ether 

Relevant articles and documents

Transition-metal-free acid-mediated synthesis of aryl sulfides from thiols and thioethers

The preparation of diaryl and alkyl aryl sulfides via acid-mediated coupling of thiols and thioethers with diaryliodonium salts is reported. The scope, limitations, and mechanism of the transformation are discussed.

Homogeneous catalytic oxidation of light alkanes: C-C bond cleavage under mild conditions

The combined oxidation of CO and C2-C4 alkanes (associated petroleum gas and natural gas components) under the action of oxygen in trifluoroacetic acid solutions in the presence of rhodium and copper chlorides was accompanied by the oxidative degradation of C-C bonds in a hydrocarbon chain with the formation of carbonyl compounds, alcohols, and esters. For butane and isobutane, the reaction path with C-C bond cleavage was predominant. The buildup curves of isobutane oxidation products (both with the retention and with the degradation of the chain) were S-shaped and characterized by the same induction period; they did not pass through a maximum. A reaction scheme was proposed to reflect the main special features of the mechanism of transformations occurring in the O2/Rh/Cu/Cl- oxidation system.

Catalytic oxidation of hydrocarbons of natural and oil gas

Alkane oxidation by O2 and CO in the presence of Rh-, Pd-, and Pt-containing catalytic systems leads to the product of C-H bond oxidation and the products of C-C bond oxidative destruction. A deuterated methyl group in acetic acid is observed in the oxidation of n-propane in a deuterium-donor medium. The possible mechanisms of alkane C2-C4 conversion are proposed.

Activation of the disulfide bond and chalcogen-chalcogen interactions: An experimental (FTICR) and computational study

Dimethyldisulfide (I) is the simplest model of the biologically relevant family of disubstituted disulfides. The experimental study of its gas-phase protonation has provided, we believe for the first time, a precise value of its gas-phase basicity. This value agrees within 1 kJmol-1 with the results of G3 calculations. Also obtained for the first time was the reaction rate constant for the bimolecular reaction between I and its protonated form, IH+, to yield methanethiol and a dimethyldithiosulfonium ion. This constant is of the order of magnitude of the collision limit. A computational mechanistic study based on the energetic profile of the reaction, completed with Fukui's and Bader's treatments of the reactants and transition states fully rationalizes the regioselectivity of the reaction as well as the existence of a shallow, flat Gibbs energy surface for the reaction. The mechanistic relevance of the chalcogen-chalcogen interaction and the C-H...S bonds has been demonstrated.

Titanium Alkoxy Derivatives as Catalysts of Heterofunctional Condensation of Alkoxy- and Acyloxysilanes

The catalytic activity of titanium alkoxy derivatives of various structures in heterofunctional condensation of alkoxy- and acyloxysilanes was studied by the kinetic method. The correlation between the catalytic activity and chemical transformations of the titanium compounds in the course of the reaction was demonstrated.

TRIETHYL PHOSPHITE IN ORGANIC SYNTHESIS. A FACILE, ONE-POT CONVERSION OF ALCOHOLS INTO AMINES

General protocols for converting primary, secondary, and tertiary alcohols into the corresponding primary amines are presented.

Synthesis of cis and trans Whisky and Cognac Lactones by the Regiocontrolled Alkylation of 2-(Trimethylsiloxy)furan

The racemic cis- and trans-5-butyltetrahydro-4-methylfuran-2-ones ( = whisky lactones) and their higher homologues tetrahydro-4-methyl-5-pentylfuran-2-ones ( = cognac lactones) have been prepared in 2-3 steps from 2(trimethylsiloxy)furan.Regioselective alkylation of the latter afforded the 5-butyl- and 5-pentylfuran-2(5H)-ones which served as precursors for the stereocontrolled construction of either diastereoisomer of the beverage lactones.The structure and tautomerization of the diazomethane adducts of these 5-alkylfuran-2(5H)-ones are also described.

An Elactron Spin Resonance Study of Fatty Acids and Esters. Part 2. Hydrogen Abstraction from Saturated Acids and their Derivatives

The radicals generated from saturated fatty acids and their derivatives by hydrogen abstraction with photochemically formed t-butoxyl radicals have been investigated.These arise from various methylene groups in the acids.The relative rates of abstraction from the methylene groups in the α-position adjacent to the terminal methyl, and the remaining chain positions are 2:2:1, respectively, at 290 K, for acids of chain length>C6.With propanoic acid, butanoic acid, and butanonitrile, hydrogen abstraction at the α-methylene group predominates.With 1-lauroyl-2-myristoyl-3-palmitoyl-rac-glycerol, enhanced attack at the position adjacent tothe terminal methyl was observed.