854-76-2

Basic information

• Product Name: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-
• Synonyms: 3-(4-Hydroxy-3-methyl-phenyl)-3-(4-hydroxy-phenyl)-phthalid;3-(4-hydroxy-3-methyl-phenyl)-3-(4-hydroxy-phenyl)-phthalide;3-(4-hydroxy-3-methyl-phenyl)-3-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one;Phenol-o-kresol-phthalein
• CAS NO: 854-76-2
• Molecular Formula: C21H16O4
• Molecular Weight: 332.356
• Mol File: 854-76-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-(854-76-2)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-(854-76-2)

Safety Data

• Hazardous Substances Data: 854-76-2(Hazardous Substances Data)

Usage

Chemical class

Isobenzofuranone derivative

Molecular structure

Cyclic compound with a lactone ring

Presence of hydroxy groups

Indicates potential antioxidant and phenolic properties

Presence of phenyl rings

Contributes to the compound's aromatic properties

Potential applications

Pharmaceutical, cosmetic, and food industries

Antioxidant properties

May help protect against oxidative stress and damage

Phenolic properties

May have beneficial effects on health and well-being

Aromatic properties

Due to the presence of the isobenzofuranone ring

Further research needed

To fully understand the potential uses and properties of the compound

Testing required

To confirm its safety and efficacy in various applications

Upstream product

• 85-57-4 2-(4-hydroxy-benzoyl)-benzoic acid 
• 95-48-7 ortho-cresol 
• 85-44-9 phthalic anhydride 
• 108-95-2 phenol 

Downstream Products

• 193630-26-1 3-(4''-hydroxyphenyl)-3-(4'-hydroxy-3'-isopropylphenyl)phthalide 
• 193630-25-0 3-(4''-hydroxyphenyl)-3-(3'-ethyl-4'-hydroxyphenyl)phthalide 
• 83938-70-9 2-(4-hydroxy-3-isopropylbenzoyl)benzoic acid 
• 67217-89-4 2-(3-Ethyl-4-hydroxy-benzoyl)-benzoic acid 
• 85-57-4 2-(4-hydroxy-benzoyl)-benzoic acid 
• 51671-72-8 2-(3-methyl-4-hydroxybenzoyl)benzoic acid 

Relevant articles and documents

New chemical markers based on phthaleins

New chemical markers based on mixtures of individual phthaleins were developed. These markers are characterized by high level of secrecy in use, good transferability to contacting persons, enhanced retention on the objects marked, and reliable identification of phthaleins by expert investigation. The experimental studies of the markers obtained show that the synthesized mixture of three phthalein homologs contains the previously unknown phthalein with unsymmetrical phenolic substituents, o-cresolphenolphthalein [3-(3′-methyl-4′-hydroxyphenyl)-3-(4?-hydroxyphenyl)phthalide], which decreases the probability of the marker falsification. Quantum-chemical calculations of the reaction of the o-cresolphthalein synthesis show that the overall reaction is characterized by small positive changes in the enthalpy and Gibbs free energy, and the second and third steps occur with negative changes in the Gibbs energy. The optimum structure of the transition state was calculated.