38861-88-0

Basic information

• Product Name: 4-ISOBUTYLBENZOIC ACID
• Synonyms: P-ISOBUTYLBENZOIC ACID;p-isobutyl-benzoicaci;IBUPROFEN IMP S;4-ISOBUTYLBENZOIC ACID;Isobutylbenzoicacid;ZINCBIS(4-ISOBUTYLBENZOATE);4-ISOBUTYLBENZOIC ACID 99+%;IBuprofen Impurity 61
• CAS NO: 38861-88-0
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
• Mol File: 38861-88-0.mol

Chemical Properties

• Melting Point: 144°C
• Boiling Point: 293.1 °C at 760 mmHg
• Flash Point: 138.8 °C
• Appearance: /
• Density: 1.059 g/cm³
• Vapor Pressure: 0.000801mmHg at 25°C
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.32±0.10(Predicted)
• CAS DataBase Reference: 4-ISOBUTYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ISOBUTYLBENZOIC ACID(38861-88-0)
• EPA Substance Registry System: 4-ISOBUTYLBENZOIC ACID(38861-88-0)

Safety Data

• RTECS: DH3073800
• Hazardous Substances Data: 38861-88-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Isobutylbenzoic Acid is used as a reference compound in the studies for the identification of degradation products and potential impurities in Ibuprofen. This helps in ensuring the quality and purity of the drug, which is an important aspect of drug development and manufacturing.
Used in Analytical Chemistry:
4-Isobutylbenzoic Acid is applied in the determination of related substances in dexibuprofen using High-Performance Liquid Chromatography (HPLC). This technique is widely used in the pharmaceutical industry for the analysis and separation of complex mixtures, including the identification and quantification of impurities in drug substances. By using 4-Isobutylbenzoic Acid as a reference, researchers can accurately determine the presence and concentration of related substances in dexibuprofen, ensuring the safety and efficacy of the drug.

InChI:InChI=1/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)/p-1

Upstream product

• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 
• 80336-64-7 2-bromo-1-(4'-isobutyl-phenyl)-propan-1-one 
• 172160-07-5 methyl 3-oxo-2-(4'-isobutyl)phenylbutanoate 
• 538-93-2 1-phenyl-2-methylpropane 
• 59771-24-3 4-isobutylpropiophenone 
• 1116-39-8 triisobutylborane 
• 586-76-5 4-Bromobenzoic acid 
• 513-38-2 Isobutyl iodide 
• 65-85-0 benzoic acid 
• 15687-27-1 ibuprofen 
• 121808-12-6 4-(2-methylprop-1-en-1-yl)benzoic acid 
• 80336-66-9 2-chloro-1-(4-isobutyl-phenyl)1-propanone 

Downstream Products

• 55340-18-6 4-isobutylbenzoyl chloride 
• 110319-85-2 (4-isobutyl-phenyl)-methanol 
• 127729-00-4 4-Isobutyl-thiobenzoic acid S-phenyl ester 
• 635702-24-8 4-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]-benzyl alcohol 
• 947382-27-6 3-{4-[5-(4-isobutylphenyl)-[1,2,4]oxadiazol-3-yl]-phenyl}-cyclopentanone 
• 134752-80-0 ethyl 4-isobutylbenzoate 
• 51707-37-0 4-isobutyl-benzohydrazide 
• 850004-80-7 3-(2-methyl-5-chlorophenyl)-5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazole 
• 1036391-70-4 (7S)-7-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)-3-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione 

Relevant articles and documents

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