5465-28-1

Basic information

• Product Name: 2-Phenyl-2-ethylbutyric acid
• Synonyms: 2-PHENYL-2-ETHYLBUTYRIC ACID;2-ETHYL-2-PHENYL-BUTYRIC ACID;α,α-Diethylbenzeneacetic acid
• CAS NO: 5465-28-1
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• EINECS: 226-767-3
• Mol File: 5465-28-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 93 °C
• Boiling Point: 302.6 °C at 760 mmHg
• Flash Point: 199.7 °C
• Appearance: white solid
• Density: 1.046 g/cm³
• Vapor Pressure: 0.000433mmHg at 25°C
• Refractive Index: 1.515
• PKA: 4.39±0.10(Predicted)
• CAS DataBase Reference: 2-Phenyl-2-ethylbutyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Phenyl-2-ethylbutyric acid(5465-28-1)
• EPA Substance Registry System: 2-Phenyl-2-ethylbutyric acid(5465-28-1)

Safety Data

• Hazardous Substances Data: 5465-28-1(Hazardous Substances Data)

Usage

General Description

2-Phenyl-2-ethylbutyric acid is a chemical compound with the molecular formula C12H16O2. It is a carboxylic acid that belongs to the class of organic compounds known as fatty acids and conjugates. 2-Phenyl-2-ethylbutyric acid is used in the synthesis of botanical insect repellents as well as in the preparation of synthetic perfumes. It is also utilized in the production of pharmaceuticals and can be found in various cosmetic products. This chemical is known for its strong, sweet, and floral odor, making it a popular choice for fragrance and flavoring applications.

InChI:InChI=1/C12H16O2/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)

Upstream product

• 5336-57-2 2-ethyl-2-phenyl-butyronitrile 
• 5456-23-5 2-ethyl-2-bromo-butyric acid 
• 71-43-2 benzene 
• 138172-31-3 methyl 2-ethyl-2-phenylbutanoate 
• 140-29-4 phenylacetonitrile 
• 52432-72-1 Dorex 
• 30568-39-9 2-ethyl-2-phenyl-butyric acid amide 
• 64-18-6 formic acid 
• 1565-71-5 3-phenylpentan-3-ol 
• 91767-27-0 3-Chlor-3-benzoyl-pentan 

Downstream Products

• 101449-75-6 2-ethyl-2-phenyl-butyric acid-(2-dimethylamino-ethyl ester) 
• 101778-55-6 2-ethyl-2-phenyl-butyric acid-(2-diethylamino-ethyl ester) 
• 6006-71-9 2-ethyl-2-phenylbutan-1-ol 
• 68886-54-4 2-ethyl-2-phenyl-butyryl chloride 
• 91642-00-1 2-ethyl-2-(4-nitro-phenyl)-butyric acid 
• 106476-91-9 2-ethyl-2-phenyl-butyric acid ethyl ester 
• 71265-18-4 2-ethyl-2-phenyl-butyric acid-[2-(2-chloro-ethoxy)-ethyl ester] 
• 41057-44-7 N-(β-Dimethylaminoethyl)-α-ethyl-α-phenylbutyramide 
• 29020-96-0 2-Ethyl-2-o-(1-methyl-1-carboxyethyl)-phenyl-n-buttersaeure 
• 102377-01-5 2-ethyl-2-phenyl-butyric acid-[2-(2-piperidino-ethoxy)-ethyl ester] 
• 102371-02-8 2-ethyl-2-phenyl-butyric acid-[2-(2-pyrrolidino-ethoxy)-ethyl ester] 
• 101778-59-0 N,N-diethyl-glycine-(2-ethyl-2-phenyl-butyl ester) 
• 107203-59-8 N,N-dimethyl-glycine-(2-ethyl-2-phenyl-butyl ester) 
• 106321-39-5 chloro-acetic acid-(2-ethyl-2-phenyl-butyl ester) 

Relevant articles and documents

Palladium-Catalyzed Distal m-C-H Functionalization of Arylacetic Acid Derivatives

Herein, we present m-C-H olefination on derivatives of phenylacetic acids by tethering with a simple nitrile-based template through palladium catalysis. Notably, the versatility of the method is evaluated with a wide range of phenylacetic acid derivatives for obtaining the meta-olefination products in fair to excellent yields with outstanding selectivities under mild conditions. Significantly, the present strategy is successfully exemplified for the synthesis of drugs/natural product analogues (naproxen, ibuprofen, paracetamol, and cholesterol).

High performance liquid chromatographic determination of oxeladin citrate and oxybutynin hydrochloride and their degradation products

Two high performance liquid chromatographic (HPLC) methods are presented for the determination of oxeladin citrate (OL) and oxybutynin hydrochloride (OB) and their degradation products. The first method was based on HPLC separation of OL from its degradation product using a Nucleosil C18 column with a mobile phase consisting of acetonitrile -0.1% phosphoric acid (60:40 v/v). The second method was based on HPLC separation of OB from its degradation product using a VP-ODS C18 column with a mobile phase consisting of acetonitrile/0.01:M potassium dihydrogen phosphate/diethylamine (60:40:0.2). Quantitation was achieved with UV detection at 220:nm based on peak area. The two HPLC methods were applied for the determination of OL or OB, their degradation products, methylparaben and propylparaben in pharmaceutical preparations. The proposed methods were used to investigate the kinetics of acidic and alkaline degradation processes of OL and OB at different temperatures and the apparent pseudofirst-order rate constant, half-life and activation energy were calculated. The pH-rate profiles of degradation of OL and OB in Britton-Robinson buffer solutions within the pH range 2-12 were studied.