94-47-3

Basic information

• Product Name: FEMA 2860
• Synonyms: PHENYLETHYL BENZOATE;PHENETHYL BENZOATE;2-Fenylethylester kyseliny benzoove;2-fenylethylesterkyselinybenzoove;2-Phenylethyl benzoate;2-phenylethylbenzoate;Benzoicacid,2-phenylethylester;Benzylcarbinyl benzoate
• CAS NO: 94-47-3
• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.27
• EINECS: 202-336-5
• Product Categories: Alphabetical Listings;Flavors and Fragrances;O-P
• Mol File: 94-47-3.mol
• Article Data: 89

Chemical Properties

• Boiling Point: 182 °C12 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless/Liquid
• Density: 1.093 g/mL at 25 °C(lit.)
• Vapor Pressure: 3.48E-05mmHg at 25°C
• Refractive Index: n20/D 1.56(lit.)
• Water Solubility: 207.21mg/L at 25℃
• CAS DataBase Reference: FEMA 2860(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 2860(94-47-3)
• EPA Substance Registry System: FEMA 2860(94-47-3)

Safety Data

• WGK Germany: 2
• RTECS: DH6288000
• Hazardous Substances Data: 94-47-3(Hazardous Substances Data)

Usage

Description

FEMA 2860, also known as Phenethyl Benzoate, is an organic compound that serves as a building block in the synthetic preparation of esters. It is synthesized through the acylation of alcohols with acid anhydrides, using Bi(OTf)3 as a catalyst.

Uses

Used in Flavor and Fragrance Industry:
FEMA 2860 is used as a flavoring agent for imparting a sweet, floral, and slightly fruity aroma to various food products and beverages. Its pleasant scent also makes it suitable for use in the fragrance industry, where it can be incorporated into perfumes, colognes, and other scented products.
Used in Pharmaceutical Industry:
FEMA 2860 is used as an intermediate in the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and medications.
Used in Cosmetic Industry:
FEMA 2860 is used as a component in the formulation of cosmetics, such as creams, lotions, and other skincare products, due to its pleasant scent and potential moisturizing properties.
Used in Agrochemical Industry:
FEMA 2860 is used as a building block in the synthesis of agrochemicals, such as pesticides and herbicides, to help protect crops and enhance agricultural productivity.
Used in Research and Development:
FEMA 2860 is utilized in research and development settings for the exploration of new chemical reactions, synthesis methods, and potential applications in various industries.

Preparation

From phenethyl alcohol and benzoyl chloride in the presence of NaOH; from phenylethyl alcohol and methylbenzoate; by esterification of phenylethyl acohol with benzoic acid.

Flammability and Explosibility

Notclassified

Metabolism

The metabolism of benzoic acid has been extensively studied in more than 20 species, including man (Williams, 1959). Depending on species and other factors, such as availability of glycine, benzoic acid may be excreted in the urine as hippuric acid, benzoyl glucuronide or other compounds (see, for example, Bridges. French. Smith & Williams, 1970; Irjala, 1972; Kato, 1972; Martin, 1966; Runyan, 1971; Strahl & Barr, 1971; Wan & Riegelman, 1972). The major route of biotransformation of benzoic acid in man is conjugation with glycine to form hippuric acid, the rate-limiting factor in this reaction being the availability of glycine (Amsel & Levy. 1969). In man at a dose of 1 mg/kg, benzoic acid is excreted entirely as hippuric acid (Bridges et al. 1970). Phenylethyl alcohol is oxidized almost entirely to phenylacetic acid (Williams, 1959). In rabbits, a small amount of benzoic acid is also formed; the phenylacetic acid is excreted mainly as phenaceturic acid (Smith, Smithies & Williams, 1954).

InChI:InChI=1/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

Upstream product

• 60-12-8 2-phenylethanol 
• 98-88-4 benzoyl chloride 
• 2396-53-4 di(2-phenylethyl) ether 
• 65-85-0 benzoic acid 
• 3277-27-8 diethyl benzoylphosphonate 
• 18819-89-1 tetrabutylammonium benzoate 
• 120822-07-3 2-(α-hydroxybenzyl)-3-methylbenzothiazolium iodide 
• 85106-61-2 1-benzoyl-3-benzylimidazolium chloride 
• 100726-41-8 (1H-benzo[d][1,2,3]triazol-1-yl)methyl benzoate 
• 62673-31-8 benzyl(bromo)zinc 
• 78926-09-7 1-tert-butyldimethylsilyloxy-2-phenylethane 
• 1927-61-3 2-(2-phenylethoxy)tetrahydro-2H-pyran 
• 105966-41-4 1-(tert-butyldiphenylsiloxy)-2-phenylethane 
• 54894-37-0 (2-(benzyloxy)ethyl)benzene 

Downstream Products

• 60-12-8 2-phenylethanol 
• 614-16-4 Benzoylacetonitrile 
• 65-85-0 benzoic acid 
• 179459-56-4 2-(4-acetylphenyl)ethyl benzoate 
• 93-58-3 benzoic acid methyl ester 
• 179459-63-3 2-[4-(4-butyl-2-methyl-1,3-dioxolan-2-yl)phenyl]ethylamine 
• 179459-61-1 2-[4-(4-butyl-2-methyl-1,3-dioxolan-2-yl)phenyl]ethanol 
• 179460-94-7 2-[4-(4-butyl-2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl benzoate 
• 49681-79-0 phenyl ethanol-d1 
• 1332887-16-7 2-benzoyloxy-1-phenylethyl nitrate 
• 1407999-33-0 C₂₁H₂₄N₂O₆ 
• 95843-98-4 2-(benzyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 34105-34-5 O-2-phenylethyl benzothioate 
• 73741-58-9 O-2-phenylethyl ethanethioate 

Relevant articles and documents

Br?nsted Acid Mediated Nucleophilic Functionalization of Amides through Stable Amide C?N Bond Cleavage; One-Step Synthesis of 2-Substituted Benzothiazoles

We have developed a Br?nsted acid mediated synthetic method to directly cleave stable amide C?N bonds by a variety of alcohol and amine nucleophiles. Reverse reactivity was observed and alcoholysis of amides by activated primary and secondary benzylic, and propargylic alcohols have been achieved instead of the expected nucleophilic substitution of alcohols. As an application, 2-substituted benzothiazole derivatives have been synthesized in one pot employing 2-aminothiophenol as nucleophile.

Spin glass behavior and oxidative catalytic property of Zn2MnO4 from a metathesis driven metastable precursor

The reaction of chloride salts of zinc and manganese with NaOH yielded a cubic spinel structured metastable precursor at room temperature, driven mainly by the salt elimination process's energetics. While classical drying processes failed to produce the monophasic oxide, recrystallization under the hydrothermal conditions yielded Zn2MnO4 in nano dimensions. The sample consisted of crystallites with an average 6 nm size and had a lattice dimension of 8.396 (13) ?. The selected area electron diffraction pattern reiterated the occurrence of cubic inverse spinel. The presence of fingerprint (A1g and F2g) modes of an inverse spinel at 663 and 561 cm?1 in the Raman spectrum further supported our finding. The TEM-EDS analysis confirmed the ratio of Zn: Mn as 1.95:1. The sample showed an optical bandgap of 2.54 eV. X-ray photoelectron spectral analysis established the existence of manganese in the IV oxidation state. The presence of Mn (IV) with small amounts of Mn (III) (up to 20%) was confirmed from the electron paramagnetic spectra recorded at room temperature and 77 K. An average oxidation state of 3.85 was deduced from the chemical redox titration experiments. The pseudocapacitive behavior of the sample was evident in cyclic voltammetric experiments. The sample exhibited paramagnetic behavior at 298 K within the applied magnetic field of ±50 kOe. In the temperature-dependent measurements, the zero-field and field cooled data points of Zn2MnO4 diverged at 13 K, suggesting a spin-glass behavior. An effective magnetic moment of 4.31 BM was deduced for the sample. The inverse spinel effectively catalyzed the oxidation of phenol. It facilitated nearly 100% degradation of bisphenol-A to salicylaldehyde and phenylethyl alcohol (as major products) in the presence of H2O2 and at a pH of 9.