4191-73-5

Basic information

• Product Name: Isopropylparaben
• Synonyms: 1-methylethyl4-hydroxybenzoate;4-hydroxy-benzoicaci1-methylethylester;Benzoic acid, p-hydroxy-, isopropyl ester;p-hydroxy-benzoicaciisopropylester;p-Oxybenzoesaureisopropylester;ISOPROPYL 4-HYDROXYBENZOATE;ISOPROPYLHYDROXYBENZOATE;BENZOIC ACID, 4-HYDROXY-, 1-METHYLETHYL ESTER
• CAS NO: 4191-73-5
• Molecular Formula: C10H12O3
• Molecular Weight: 180.2
• EINECS: 224-069-3
• Product Categories: Aromatic Esters;Aromatics;Cosmetics
• Mol File: 4191-73-5.mol
• Article Data: 15

Chemical Properties

• Melting Point: 84-86°C
• Boiling Point: 160 °C / 5mmHg
• Flash Point: 120.4 °C
• Appearance: /
• Density: 1.132 g/cm³
• Vapor Pressure: 0.00148mmHg at 25°C
• Refractive Index: 1.529
• Storage Temp.: 0-6°C
• Solubility: Soluble in Chloroform, Ethyl Acetate.
• PKA: 8.40±0.15(Predicted)
• Water Solubility: 1.204g/L
• BRN: 2641564
• CAS DataBase Reference: Isopropylparaben(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropylparaben(4191-73-5)
• EPA Substance Registry System: Isopropylparaben(4191-73-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RTECS: DH2250000
• HazardClass: IRRITANT
• Hazardous Substances Data: 4191-73-5(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Different sources of media describe the Uses of 4191-73-5 differently. You can refer to the following data:
1. An antimicrobial
2. It is used as a preservative in cosmetics.

Contact allergens

This substance is one of the parabens family. Parabens are esters formed by p-hydroxybenzoic acid and an alcohol. They are largely used as biocides in cosmetics and toiletries, medicaments, or food. They have synergistic power with other biocides. Parabens can induce allergic contact dermatitis, mainly in chronic dermatitis and wounded skin.

InChI:InChI=1/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3

Upstream product

• 555-31-7 aluminum isopropoxide 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 67-63-0 isopropyl alcohol 
• 99-96-7 4-hydroxy-benzoic acid 
• 4541-32-6 2,2-dimethylcyclopentanone 
• 37470-70-5 isopropyl 4-hydroxy-3-iodobenzoate 
• 201230-82-2 carbon monoxide 
• 108-95-2 phenol 
• 17348-66-2 di(methyl)tert-butyl(isopropoxy)silane 
• 123-08-0 4-hydroxy-benzaldehyde 

Downstream Products

• 124103-79-3 4-(tetra-O-acetyl-β-D-glucopyranosyloxy)-benzoic acid isopropyl ester 
• 60377-02-8 4-[3-(4-Chloro-phenoxy)-2-hydroxy-propoxy]-benzoic acid isopropyl ester 
• 70193-75-8 4-[3-(4-Isopropyl-phenoxy)-2-oxo-propoxy]-benzoic acid isopropyl ester 
• 60377-24-4 4-[3-(4-Chloro-phenylamino)-2-hydroxy-propoxy]-benzoic acid isopropyl ester 
• 70193-84-9 4-[3-(4-tert-Butyl-phenoxy)-2-oxo-propoxy]-benzoic acid isopropyl ester 

Relevant articles and documents

Method for preparing paraben

The invention discloses a method for preparing paraben. The method comprises the following steps: adding p-hydroxybenzoic acid (Amol), an alcohol (Bmol) and a benzimidazole ionic liquid (Cmol) into adry three-neck flask, slowly heating, carrying out reflux reaction, and carrying out TLC monitoring until reaction is finished; carrying out reduced pressure distillation to remove a solvent, washingresidues with ethyl acetate, carrying out suction filtration, and carrying out spin-drying on an obtained filtrate to obtain paraben. The yield can reach 90% or above; an obtained filter cake is the benzimidazole ionic liquid and can be recycled; the ratio of A to B to C is 1: 5: (0.2-0.5). The method provided by the invention has the advantages that the catalyst can be recycled, green and environment-friendly effects are realized, the cost is reduced, and the method is an efficient method for synthesizing paraben.

Novel Benzothiazole Ionic Liquids as Catalysts for the Synthesis of Parabens

Abstract: A simple and green approach to the esterification of p-hydroxybenzoic acid and aliphatic alcohols to obtain parabens was developed. First, two novel benzothiazole ionic liquids [HBth]H2PW12O40 (IL1) and [HBth]H4PMo12O41 (IL2) were synthesized with benzothiazole and heteropolyacids as starting materials. The synthesized ionic liquids were characterized by FTIR spectroscopy, TGA, PXRD analysis, and SEM. The application of IL1 and IL2 as catalysts for the synthesis of parabens was explored. The results showed that the ILs had a high catalytic activity in the synthesis of parabens, and, at the same time, they could be easily recovered and reused five times without loss of activity.

Single-Step Dual Functionalization: One-Pot Bromination-Cross-Dehydrogenative Esterification of Hydroxy Benzaldehydes with CCl 3 Br - A Comparison with Selectfluor

Bromination of phenolic compounds without directly using molecular bromine possesses much importance. In this article an Ir III /CCl 3 Br-assisted single-step double functionalization of hydroxy benzaldehydes is reported. It involves simultaneous esterification of the aldehyde group and bromination of the aryl ring of phenolic aldehydes in one-pot. The reaction proceeds under mild conditions in the presence of 445 nm blue LED light to obtain highly functionalized bromo hydroxy benzoates in moderate to good yields. In comparison, Selectfluor as an oxidant gives only non-bromo phenolic esters.