13031-45-3

Basic information

• Product Name: Ethyl-4-acetoxybenzoate
• Synonyms: Ethyl-4-acetoxybenzoate
• CAS NO: 13031-45-3
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21058
• Mol File: 13031-45-3.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 302.7°C at 760 mmHg
• Flash Point: 148.4°C
• Appearance: /
• Density: 1.147g/cm³
• Vapor Pressure: 0.000972mmHg at 25°C
• Refractive Index: 1.506
• CAS DataBase Reference: Ethyl-4-acetoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl-4-acetoxybenzoate(13031-45-3)
• EPA Substance Registry System: Ethyl-4-acetoxybenzoate(13031-45-3)

Safety Data

• Hazardous Substances Data: 13031-45-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H12O4/c1-3-14-11(13)9-4-6-10(7-5-9)15-8(2)12/h4-7H,3H2,1-2H3

Upstream product

• 2345-34-8 4-acetyloxy-benzoic acid 
• 75-03-6 ethyl iodide 
• 64-17-5 ethanol 
• 18028-09-6 4-(trimethylsilyl)benzoic acid ethyl ester 
• 64-19-7 acetic acid 
• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 93-89-0 benzoic acid ethyl ester 
• 108-24-7 acetic anhydride 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 94-13-3 nipasol 
• 94-26-8 4-hydroxybenzoic acid, butyl ester 
• 94-18-8 Benzyl 4-hydroxybenzoate 
• 4191-73-5 isopropyl 4-hydroxybenzoate 
• 4247-02-3 isobutyl 4-hydroxybenzoate 

Downstream Products

• 57009-53-7 ethyl 3-acetyl-4-hydroxybenzoate 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 16357-40-7 3-acetyl-4-hydroxybenzoic acid 

Relevant articles and documents

Ligand-Promoted Palladium-Catalyzed C?H Acetoxylation of Simple Arenes

The palladium-catalyzed C?H oxidation of simple arenes is an attractive strategy to obtain phenols, which have many applications in the fine chemicals industry. Although some advances have been made in this research area, low reactivity and selectivity are, in general, observed. This report describes a new catalytic system for the efficient C?H acetoxylation of simple arenes based on Pd(OAc)2 and a pyridinecarboxylic acid ligand.

Remarkably high reactivity of Pd(OAc)2/pyridine catalysts: Nondirected C-H oxygenation of arenes

Less is more: The rational optimization and general applicability of the catalytic system Pd(OAc)2/pyridine is described (see scheme). The catalyst shows excellent reactivity in the C-H oxygenation of simple aromatic substrates. The Pd/pyridine ratio is critical as the use of one equivalent of pyridine per Pd center leads to dramatic enhancements in both reactivity and site selectivity in comparison to Pd(OAc)2 alone.

Simultaneous in-cell derivatization pressurized liquid extraction for the determination of multiclass preservatives in leave-on cosmetics

An effective one-step sample preparation methodology for the determination of multiclass preservatives in cosmetics has been developed, applying, for the first time to this kind of matrix, pressurized liquid extraction (PLE) and a very simple, cheap, and fast derivatization procedure: acetylation with acetic anhydride and pyridine. A multifactorial experimental design has been used to evaluate and optimize the main experimental parameters potentially affecting the extraction process. In the final conditions the sample was mixed with Florisil as the dispersing sorbent and extracted with ethyl acetate for 15 min at 120 °C. One of the main goals of this work was to demonstrate the possibility of carrying out direct cosmetic preservative acetylation by simply adding the derivatization reagents into the PLE cell. The extract was then analyzed by GC/MS without any further cleanup or concentration step. The accuracy, precision, linearity, and detection limits (LODs) were evaluated to assess the performance of the proposed method. Quantitative recoveries were obtained, and relative standard deviation values were lower than 10% in all cases. The obtained LODs ranged from 0.000004% to 0.0001% (w/w), values far below the established restrictions in the European Cosmetics Regulation, making this multicomponent analytical method suitable for routine control. Finally, several cosmetic products such as moisturizing and antiwrinkle creams and lotions, hand creams, sunscreen and after-sun creams, baby lotions, and hair care products were analyzed. All the samples contained several of the target cosmetic ingredients, in some cases at quite high concentrations, although the actual European Cosmetics Regulation was fulfilled in all cases.