Description

4-tert-Butyl-2-(5-tert-butyl-2-oxo-3H-benzofuran-3-yl)phenyl-3,5-di-tert-butyl-4-hydroxybenzoate (CAS No. 1261240-30-5) is a high-purity, synthetic organic compound with the molecular formula C₃₇H₄₆O₅. This sterically hindered phenolic ester derivative is designed for advanced research applications, particularly in the fields of polymer stabilization, material science, and organic synthesis. The compound features multiple tert-butyl groups, which contribute to its exceptional stability and solubility in organic solvents. With an IUPAC name of [4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] 3,5-ditert-butyl-4-hydroxybenzoate, this chemical is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). It is ideal for studying antioxidant mechanisms, developing novel stabilizers for plastics and rubbers, or as a building block for complex molecular architectures. Store in a cool, dry place protected from light to maintain optimal stability.

Properties

• CAS Number: 1261240-30-5
• Complexity: 948
• IUPAC Name: [4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-benzofuran-3-yl)phenyl] 3,5-ditert-butyl-4-hydroxy-benzoate
• InChI: InChI=1S/C37H46O5/c1-34(2,3)22-13-15-28(24(19-22)30-25-20-23(35(4,5)6)14-16-29(25)42-33(30)40)41-32(39)21-17-26(36(7,8)9)31(38)27(18-21)37(10,11)12/h13-20,30,38H,1-12H3
• InChI Key: BWBGTUYNAMKJAI-UHFFFAOYSA-N
• Exact Mass: 570.33452456
• Molecular Formula: C37H46O5
• Molecular Weight: 570.8
• SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=O)C2C3=C(C=CC(=C3)C(C)(C)C)OC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
• Topological: 72.8
• Monoisotopic Mass: 570.33452456
• Synonyms: 0BEZ0ZZC20, 1261240-30-5, 4-tert-Butyl-2-(5-tert-butyl-2-oxo-3H-benzofuran-3-yl)phenyl-3,5-di-tert-butyl-4-hydroxybenzoate, DTXSID70889283, EC 700-641-2, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 4-(1,1-dimethylethyl)-2-[5-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-3-benzofuranyl]phenyl ester, 4-tert-butyl-2-(5-tert-butyl-2-oxo-2,3-dihydro-1-benzofuran-3-yl)phenyl 3,5-di-tert-butyl-4-hydroxybenzoate, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 4-(1,1-dimethylethyl)-2-(5-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-3-benzofuranyl)phenyl ester, 4-TERT-BUTYL-2-(5-TERT-BUTYL-2,3-DIHYDRO-2-OXO-3-BENZOFURANYL)PHENYL 3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE, DTXCID001028546, 700-641-2, UNII-0BEZ0ZZC20, SCHEMBL12273588, BWBGTUYNAMKJAI-UHFFFAOYSA-N, NS00003765, Q27236572

Application

This compound serves as a potent antioxidant and stabilizer in polymer research, effectively scavenging free radicals to prevent oxidative degradation. Researchers utilize it to develop advanced stabilization systems for polyolefins, elastomers, and other susceptible materials. The sterically hindered phenolic structure makes it valuable for studying structure-activity relationships in antioxidant chemistry. It’s also employed as a key intermediate in the synthesis of more complex stabilization additives. Additionally, its unique benzofuran moiety offers potential applications in organic electronic materials research.

Safety and Hazards

GHS Hazard Statements

• H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 4 (100%)

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