2822-57-3

Basic information

• Product Name: hexanoic acid, 2,2,2-trifluoroethyl ester
• Synonyms: 2,2,2-Trifluoroethyl hexanoate
• CAS NO: 2822-57-3
• Molecular Formula: C₈H₁₃F₃O₂
• Molecular Weight: 198.1828
• Mol File: 2822-57-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 153.649°C at 760 mmHg
• Flash Point: 16.718°C
• Density: 1.098g/cm³
• Vapor Pressure: 3.3mmHg at 25°C
• Refractive Index: 1.375
• CAS DataBase Reference: hexanoic acid, 2,2,2-trifluoroethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: hexanoic acid, 2,2,2-trifluoroethyl ester(2822-57-3)
• EPA Substance Registry System: hexanoic acid, 2,2,2-trifluoroethyl ester(2822-57-3)

Safety Data

• Hazardous Substances Data: 2822-57-3(Hazardous Substances Data)

Upstream product

• 75-89-8 2,2,2-trifluoroethanol 
• 142-62-1 hexanoic acid 
• 956-75-2 p-nitrophenyl hexanoate 
• 371-67-5 2,2,2-trifluorodiazoethane 

Downstream Products

• 125356-62-9 (1R,2S)-2-hydroxycyclohexane-1-carbonitrile 
• 125356-61-8 (1S,2R)-trans-2-hydroxycyclohexanecarbonitrile 
• 1204401-75-1 1-O-hexanoyl-2-O-(6-O-tosyl-β-D-glucopyranosyl)-sn-glycerol 

Relevant articles and documents

Preparation method of 2, 2, 2-trifluoroethyl hexanoate

The invention relates to a preparation method of 2, 2, 2, 2-trifluoroethyl hexanoate, and belongs to the technical field of battery electrolyte additives. The method comprises the following steps: taking n-hexanoic acid as a raw material, adding a catalyst, heating to 70-90 DEG C, dropwise adding trifluoroethanol, completing dropwise adding within 1-2.5 hours, heating to reflux, refluxing for 3-5 hours, cooling to room temperature, washing the reaction liquid to be neutral, separating the liquid, drying an organic phase, performing suction filtration, performing atmospheric distillation, and collecting fractions at the temperature of 153-154 DEG C, so as to obtain the 2, 2, 2-trifluoroethyl hexanoate. The preparation method is simple, the prepared 2, 2, 2-trifluoroethyl hexanoate is high in yield and purity, and the effect is good when the 2, 2, 2-trifluoroethyl hexanoate is applied to a battery electrolyte.

Transition state stabilization by micelles: Thiolysis of p-nitrophenyl alkanoates in cetyltrimethylammonium bromide micelles

Thiolysis of p-nitrophenyl esters (acetate to decanoate) by the anion of 2-mercaptoethanol (ME) is catalyzed by micelles of cetyltrimethylammonium bromide (CTAB) in aqueous solution. At fixed [ME], the observed rate constants (k(obs)) show saturation with

Acid-Catalyzed Reaction of 2,2,2-Trifluorodiazoethane for Analysis of Functional Groups by 19F Nuclear Magnetic Resonance Spectrometry

The acid-catalyzed reactions of trifluorodiazoethane with alcohols, phenols, thiols, and carboxylic acids are reported.The yield data for these trifluoroethyl derivatives suggest a simple, and in many cases, quantitative method for introduction of a fluorine tagging group.The 19F chemical shifts indicate that most functional groups (e.g., phenols, alcohols, etc.) have fairly well resolved chemical shifts regions.In addition, paramagnetic shift reagents have been utilized to selectively differentiate carboxylic acids from other active hydrogen functional groups.