4247-02-3

Basic information

• Product Name: Isobutylparaben
• Synonyms: 4-hydroxy-benzoicaci2-methylpropylester;Benzoicacid,4-hydroxy-,2-methylpropylester;p-hydroxybenzoicacidisobutylester;p-hydroxy-benzoicaciisobutylester;p-oxybenzoesaureisobutylester;ISOBUTYL P-HYDROXYBENZOATE;ISOBUTYLPARABEN;ISOBUTYL 4-HYDROXYBENZOATE
• CAS NO: 4247-02-3
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• EINECS: 224-208-8
• Product Categories: Aromatics;Alcohols;Building Blocks;C10 to C11;C11 to C30+;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Oxygen Compounds;Cosmetics
• Mol File: 4247-02-3.mol

Chemical Properties

• Melting Point: 76°C
• Boiling Point: 302.3 °C at 760 mmHg
• Flash Point: 125.4 °C
• Appearance: White solid
• Density: 1.105 g/cm³
• Vapor Pressure: 0.000556mmHg at 25°C
• Refractive Index: 1.524
• Storage Temp.: 0-6°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 8.17±0.15(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 2642305
• CAS DataBase Reference: Isobutylparaben(CAS DataBase Reference)
• NIST Chemistry Reference: Isobutylparaben(4247-02-3)
• EPA Substance Registry System: Isobutylparaben(4247-02-3)

Safety Data

• Hazard Codes: Xi,N
• Statements: 51/53
• Safety Statements: 22-24/25-61
• RIDADR: UN 3077 9/PG 3
• WGK Germany: 2
• RTECS: DH2247000
• HazardClass: IRRITANT
• Hazardous Substances Data: 4247-02-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Isobutylparaben is used as a preservative in pharmaceutical products to prevent microbial contamination and extend the shelf life of medications. Its antimicrobial properties help maintain the safety and efficacy of drugs, ensuring that they remain uncontaminated and potent throughout their intended use.
Used in Cosmetic Industry:
Isobutylparaben is used as an antimicrobial agent and preservative in cosmetic products, such as creams, lotions, and makeup. It helps prevent the growth of bacteria, fungi, and other microorganisms that can cause spoilage, irritation, or infection, ensuring the safety and longevity of cosmetic products.
Used in Food Industry:
Isobutylparaben is also used as a preservative in the food industry to prevent spoilage and extend the shelf life of various food products. Its antimicrobial properties help maintain the quality and safety of food items, reducing the risk of foodborne illnesses and spoilage.

Flammability and Explosibility

Nonflammable

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/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 99-96-7 4-hydroxy-benzoic acid 

Downstream Products

• 160834-75-3 isobutyl p-(3-bromo)-propyloxy benzoate 
• 1025828-97-0 3-(4-isobutoxycarbonyl)phenoxy-1-bromoacetone 
• 147539-04-6 1-bromo-3-<(4-isobutoxycarbonyl)phenoxy>propan-2-one 
• 147538-91-8 8-<<3-(p-isobutoxycarbonyl)phenoxy-2-oxo-propyl>thio> adenosine 
• 160961-52-4 8-<<3-hydroxy-3-(p-isobutoxycarbonyl)phenoxypropyl>thio> adenosine 
• 104343-46-6 8-<<2-(R)-hydroxy-3-(p-isobutoxycarbonyl)phenoxypropyl>thio> adenosine 
• 27739-15-7 C₁₂H₁₄O₄ 
• 27801-52-1 C₁₃H₁₆O₄ 
• 27739-14-6 4-Acetoxybenzoic acid butyl ester 
• 24262-66-6 methyl 4-acetoxybenzoate 

Relevant articles and documents

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.

Ester Derivatives of 2,6-Bis(1-pyrrolidinylmethyl)-4-benzamidophenol as Short-Acting Antiarrhythmic Agents. 1

In an effort to find a replacement for the iv antiarrhythmic drug lidocaine having reduced systemic and central nervous system effects, activity against supraventricular as well as ventricular arrhythmias, and a biological half-life of less than 15 min, derivatives of the orally active class Ic clinical agent 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol, 1 (ACC-9358), were synthesized and tested.Compounds with ester groups attached to the phenyl ring were either weakly active or toxic.Replacement of the formanilide function with alkyl esters afforded compounds with antiarrhythmic activity in the range of 1.When the ester carboxyl was separated from the bis(aminomethyl)phenol by methylene units, very short half-lives were observed in human blood.In general, these compounds also had low lipophilic character.