66734-95-0

Basic information

• Product Name: 4-Isobutylcinnamic acid
• Synonyms: 4-ISOBUTYLCINNAMIC ACID;3-(4-ISOBUTYLPHENYL)ACRYLIC ACID;RARECHEM BK HW 0051;TIMTEC-BB SBB002372;(E)-3-(4-isobutylphenyl)acrylic acid;(2E)-3-(4-isobutylphenyl)acrylic acid
• CAS NO: 66734-95-0
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives
• Mol File: 66734-95-0.mol

Chemical Properties

• Melting Point: 168-169
• Boiling Point: 333.978 °C at 760 mmHg
• Flash Point: 237.361 °C
• Appearance: /
• Density: 1.068 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.567
• Storage Temp.: 2-8°C
• PKA: 4.52±0.10(Predicted)
• CAS DataBase Reference: 4-Isobutylcinnamic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isobutylcinnamic acid(66734-95-0)
• EPA Substance Registry System: 4-Isobutylcinnamic acid(66734-95-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 66734-95-0(Hazardous Substances Data)

Usage

Uses

Used in the Fragrance Industry:
4-Isobutylcinnamic acid is used as a scent enhancer and fixative for its ability to improve the intensity and longevity of fragrances in various products.
Used in the Cosmetics and Personal Care Industry:
4-Isobutylcinnamic acid is used as an ingredient in the production of cosmetics, soaps, and other personal care products, leveraging its pleasant odor and potential antimicrobial properties to enhance product quality and safety.
Used in Pharmaceutical Development:
4-Isobutylcinnamic acid is studied for its potential antimicrobial and antifungal properties, making it a promising candidate for the development of new pharmaceuticals and antimicrobial products, particularly for applications where resistance to existing treatments is a concern.

InChI:InChI=1/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)/b8-7+

Upstream product

• 141-82-2 malonic acid 
• 40150-98-9 4-(2-methyl-1-propyl)benzaldehyde 
• 201230-82-2 carbon monoxide 
• 132464-91-6 4'-isobutyl phenylacetylene 
• 110319-85-2 (4-isobutyl-phenyl)-methanol 
• 38861-88-0 4-isobutylbenzoic acid 
• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 

Downstream Products

• 65322-85-2 3-(4'-isobutylphenyl)propionic acid 
• 110319-78-3 N-hydroxy-N-methyl-3-<4-(2-methylpropyl)phenyl>propenamide 
• 41053-71-8 3-(4-Isobutyl-phenyl)-propionyl chloride 
• 110319-77-2 N-Hydroxy-3-(4-isobutyl-phenyl)-N-methyl-propionamide 
• 945387-41-7 4-isobutylcinnamic acid chloride 
• 1427204-78-1 C₁₆H₂₀N₂OS 

Relevant articles and documents

Synthesis and carbonylation of aryl acetylenes

Several substituted aryl acetylenes have been prepared from acetophenones using the Vilsmeier reaction. Carbonylation of aryl acetylenes to produce aryl acrylic acids has been studied as a potential route to optically pure anti-inflammatory drugs such as ibuprofen and naproxen.

In Vivo Characterization of Hydroxamic Acid Inhibitors of 5-Lipoxygenase

The hydroxamic acid functionality can be incorporated into simple molecules to produce potent inhibitors of 5-lipoxygenase.The ability of many of these hydroxamates to inhibit leukotriene synthesis in vivo has been measured directly with a rat peritoneal anaphylaxis model.Despite their potent enzyme inhibitory activity in vitro, many orally dosed hydroxamic acids only weakly inhibited leukotriene synthesis in vivo.This discrepancy is attributable at least in part to the rapid metabolism of hydroxamates to the corresponding carboxylic acids, which are inactive against the enzyme.A study of the structural features that affect this metabolism revealed that 2-arylpropionohydroxamic acids are relatively resistant to metabolic hydrolysis.Several members of this class of hydroxamates are described that are orally active inhibitors of leukotriene synthesis.