Cas no 79-96-9 (Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-)

Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-, commonly referred to as bisphenol derivative, is a high-purity phenolic compound characterized by its sterically hindered structure. The presence of tert-butyl groups at the ortho positions enhances its thermal and oxidative stability, making it suitable for applications requiring resistance to degradation. Its bifunctional phenolic structure allows for use as an intermediate in polymer synthesis, particularly in the production of high-performance resins and stabilizers. The compound's robust molecular architecture contributes to improved shelf life and compatibility in formulations requiring long-term stability under demanding conditions. Its low volatility and high melting point further support its utility in specialized industrial processes.
Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)- structure
79-96-9 structure
Product Name:Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-
CAS No:79-96-9
MF:C23H32O2
MW:340.498987197876
CID:569472
PubChem ID:66237
Update Time:2025-06-13

Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 4,4'-isopropylidenebis(o-tert-butylphenol)
    • 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
    • 4,4'-ISOPROPYLIDENEBIS(2-TERT-BUTYLPHENOL)
    • BRN 2294370
    • 4,4'-isopropylidenebis(2-t-butylphenol)
    • DB13008
    • SCHEMBL122974
    • Phenol, 4,4'-isopropylidenebis(2-tert-butyl-
    • 2,2-bis(4-hydroxy-3-tert-butylphenyl)propane
    • 3,3'-DI-TERT-BUTYLDIAN
    • 2,2'-DI-TERT-BUTYL-4,4'-ISOPROPYLIDENEBIS(PHENOL)
    • 4,4'-Isopropylidene-bis(2-t-butylphenol)
    • Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-
    • 4,4'-(propane-2,2-diyl)bis(2-tert-butylphenol)
    • NS00019387
    • OKF3E6VGQB
    • Phenol, 4,4'-(1-methylethylidene)bis(2-(1,1-dimethylethyl)-
    • AS-81863
    • 4,4'-(Propane-2,2-diyl)bis(2-(tert-butyl)phenol)
    • 4,4'-(1-METHYLETHYLIDENE)BIS(2-(1,1-DIMETHYLETHYL)PHENOL)
    • Phenol, (2,2'-di-tert-butyl-4,4'-isopropylene)di-
    • BP_25
    • UNII-OKF3E6VGQB
    • DTXSID2026490
    • 79-96-9
    • AMY19647
    • F16783
    • 4,4/'-Isopropylidene-bis(2-t-butylphenol)
    • 2,2-bis(4-hydroxy-3-tert-butylphenyl) propane
    • 4,4'-Isopropyliden-bis-(2-tert.-butylphenol)
    • Phenol, 4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-
    • 4,4'-propane-2,2-diylbis(2-tert-butylphenol)
    • Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-
    • PD058631
    • Q27285706
    • EINECS 201-239-5
    • ZDRSNHRWLQQICP-UHFFFAOYSA-N
    • 2-tert-butyl-4-(2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl)phenol
    • DTXCID106490
    • Inchi: 1S/C23H32O2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h9-14,24-25H,1-8H3
    • InChI Key: ZDRSNHRWLQQICP-UHFFFAOYSA-N
    • SMILES: OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C1=CC=C(C(=C1)C(C)(C)C)O

Computed Properties

  • Exact Mass: 340.24036
  • Monoisotopic Mass: 340.240230259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 400
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 7.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Uncertain.
  • Density: 0.9832 (rough estimate)
  • Boiling Point: 436.28°C (rough estimate)
  • Refractive Index: 1.5100 (estimate)
  • PSA: 40.46
  • Solubility: Uncertain.

Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)- Pricemore >>

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Additional information on Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-

Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-] and CAS No. 79-96-9: A Comprehensive Overview

Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-], with the chemical formula C18H26O2, is a significant compound in the realm of organic chemistry and pharmaceutical research. Its CAS number, CAS No. 79-96-9, uniquely identifies it in scientific literature and industrial applications. This compound, often referred to as p-bis(tert-butylphenol), has garnered attention due to its versatile applications and structural properties.

The molecular structure of Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-] features a central benzene ring substituted with two tert-butyl groups at the 4-position, linked by a methylene bridge. This unique arrangement imparts remarkable stability and reactivity characteristics that make it invaluable in various chemical syntheses.

In recent years, researchers have been exploring the potential of p-bis(tert-butylphenol) in the development of novel materials and pharmaceutical agents. Its high resistance to oxidation and thermal stability make it an excellent candidate for use as an antioxidant and stabilizer in industrial processes. Moreover, its ability to form stable complexes with metals has opened new avenues in catalysis research.

One of the most intriguing aspects of CAS No. 79-96-9 is its role in polymer chemistry. The compound’s phenolic groups can engage in cross-linking reactions, leading to the formation of high-performance resins and polymers. These materials exhibit enhanced durability and resistance to environmental degradation, making them suitable for applications in aerospace, automotive industries, and construction.

The pharmaceutical industry has also shown interest in p-bis(tert-butylphenol). Studies have demonstrated its potential as a precursor in the synthesis of bioactive molecules. Its structural motif is reminiscent of natural products known for their anti-inflammatory and antimicrobial properties. Researchers are currently investigating its derivatives as candidates for drug development, particularly in the treatment of chronic inflammatory diseases.

The synthesis of Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-] involves multi-step organic reactions that highlight the ingenuity of synthetic chemists. The process typically begins with the Friedel-Crafts alkylation of p-cresol (methylphenol) using tert-butyl chloride as an alkylating agent. Subsequent functionalization steps introduce the methylene bridge and additional tert-butyl groups at strategic positions on the benzene ring.

The purification and characterization of this compound are critical steps in ensuring its quality for industrial and research applications. Techniques such as gas chromatography-mass spectrometry (GC-MS), nuclear magnetic resonance (NMR) spectroscopy, and infrared (IR) spectroscopy are routinely employed to verify its chemical structure and purity.

In conclusion, Phenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-], identified by its CAS number CAS No. 79-96-9, is a multifaceted compound with broad applications across various scientific disciplines. Its unique structural features enable its use as an antioxidant, stabilizer, polymer precursor, and pharmaceutical intermediate. As research continues to uncover new possibilities for this compound, its significance in advancing chemical innovation is undeniable.

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