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
• Article Data: 15

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

4-Isobutylbenzoic Acid is used in the studies for the identification of the degradation products and potential impurities in Ibuprofen. 4-Isobutylbenzoic Acid is also applied in the determination of related substances in dexibuprofen using HPLC.

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

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

Downstream Products

• 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 
• 134752-80-0 ethyl 4-isobutylbenzoate 
• 132464-91-6 4'-isobutyl phenylacetylene 
• 142521-09-3 1-(2,2-dibromovinyl)-4-isobutylbenzene 
• 1404380-24-0 C₃₀H₃₈O₄ 
• 1404380-25-1 C₃₁H₄₁NO₄ 
• 1404380-26-2 C₃₀H₃₈INO₄ 
• 1404380-27-3 C₃₃H₄₃NO₄ 
• 1404380-28-4 C₂₆H₃₇NO₄ 
• 1404380-29-5 C₂₆H₃₅NO₅ 
• 1404380-30-8 C₂₇H₃₇NO₅ 
• 1404380-31-9 C₂₃H₂₉NO₅ 
• 1404380-33-1 C₃₂H₄₀N₂O₅ 

Relevant articles and documents

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Investigations in sono-enzymatic degradation of ibuprofen

The drug ibuprofen (IBP) appears frequently in the wastewater discharge from pharmaceutical industries. This paper reports studies in degradation of IBP employing hybrid technique of sono-enzymatic treatment. This paper also establishes synergy between individual mechanisms of enzyme and sonolysis for IBP degradation by identification of degradation intermediates, and Arrhenius & thermodynamic analysis of the experimental data. Positive synergy between sonolysis and enzyme treatment is attributed to formation of hydrophilic intermediates during degradation. These intermediates form due to hydroxylation and oxidation reactions induced by radicals formed during transient cavitation. Activation energy and enthalpy change in sono-enzymatic treatment are lower as compared to enzyme treatment, while frequency factor and entropy change are higher as compared to sonolysis. Degradation of IBP in sono-enzymatic treatment is revealed to be comparable with other hybrid techniques like photo-Fenton, sono-photocatalysis, and sono-Fenton.

First iodine-catalyzed deallylation of reactive allyl methylene esters

C-Allyl cleavage has been developed using the inexpensive and mild reagent iodine in dimethylsulfoxide. A variety of compounds with active methylene groups were C-deallylated using this reagent. This method is efficient and operationally simple in comparison to the methods using transition-metal complexes. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications to view the free supplemental file.