27739-13-5

Basic information

• Product Name: Benzoic acid, 4-(acetyloxy)-, propyl ester
• CAS NO: 27739-13-5
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Mol File: 27739-13-5.mol

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(acetyloxy)-, propyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(acetyloxy)-, propyl ester(27739-13-5)
• EPA Substance Registry System: Benzoic acid, 4-(acetyloxy)-, propyl ester(27739-13-5)

Safety Data

• Hazardous Substances Data: 27739-13-5(Hazardous Substances Data)

Upstream product

• 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 
• 108-24-7 acetic anhydride 
• 99-76-3 methyl 4-hydroxylbenzoate 

Downstream Products

• 94-13-3 nipasol 

Relevant articles and documents

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.

Electrostatic catalysis by ionic aggregates: Scope and limitations of Mg(ClO4)2 as acylation catalyst

Alkali and alkaline earth metal perchlorates exhibit electrostatic catalysis in the activation of anhydrides for the acylation reaction. Perchlorates with higher values of the charge-size function of the metal ion exhibit better catalytic activity following the order Mg(ClO4) 2>Ba(ClO4)2>LiClO4. Acylation of structurally diverse phenols, thiols, alcohols, and amines have been carried out with stoichiometric amounts of anhydride at room temperature under solvent free conditions in the presence of catalytic amount of Mg(ClO4) 2. Sterically hindered and electron deficient phenols are efficiently acylated. Acylation with sterically hindered anhydrides such as iso-butyric, pivalic, and benzoic anhydrides are carried out with phenols and alcohols in excellent yields. Acid-sensitive alcohols are acylated in excellent yields without any competitive side reactions.