3689-45-0

Basic information

• Product Name: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one
• CAS NO: 3689-45-0
• Molecular Formula: C₂₄H₂₂O₄
• Molecular Weight: 374.4291
• Mol File: 3689-45-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 556.6°C at 760 mmHg
• Flash Point: 193.1°C
• Density: 1.27g/cm³
• Vapor Pressure: 5.37E-13mmHg at 25°C
• Refractive Index: 1.649
• CAS DataBase Reference: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one(3689-45-0)
• EPA Substance Registry System: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-benzofuran-1(3H)-one(3689-45-0)

Safety Data

• Hazardous Substances Data: 3689-45-0(Hazardous Substances Data)

Upstream product

• 85-44-9 phthalic anhydride 
• 576-26-1 2.6-dimethylphenol 
• 85604-74-6 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoic acid 

Downstream Products

• 5336-56-1 (4‐hydroxy‐3,5‐dimethylphenyl)(phenyl)methanone 
• 85604-74-6 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoic acid 
• 85628-36-0 4-(4-hydroxy-3,5-dimethylphenyl)-1(2H)-phthalazinone 
• 85604-75-7 methyl 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoate 
• 85604-76-8 ethyl 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoate 
• 85604-77-9 propyl 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoate 
• 85604-78-0 butyl 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoate 
• 85604-82-6 4-(4-hydroxy-3,5-dimethylphenyl)-2-phenyl-1(2H)-phthalazinone 
• 85604-79-1 3-acetoxy-3-(4-acetoxy-3,5-dimethylphenyl)phthalide 

Relevant articles and documents

NbCl5 Promoted the Efficient Synthesis of Phthalein Derivatives: Optical Characterization and Solvatochromic Effect

Organic dyes derived from phthaleins have a large number of industrial applications and can be synthesized using a Lewis acid by Friedel–Crafts acylation, followed by an addition reaction to the carbonyl compound. This work aims to investigate the use of NbCl5 as a catalyst for the acylation reaction. The behavior of the phthalein derivatives in several solvents and when subjected to different pH conditions was studied. These compounds showed a color-changing effect depending on the pH and solvent, making them useful for applications as indicators. The phthaleins change their conformations depending on the condition of the medium. Photophysical studies of these compounds were carried out through their UV–Vis absorption spectra. Here, we show the umbrella-like conformation change of phthalein derivatives that depend on the solvent and the pH of the medium.

Oral care compositions with color changing indicator

The invention describes color changing toothpastes and mouthwashes which contains acid-base indicator(s) for interaction with the oral cavity to provide a color change indicative of treatment time.