4,4'-Methylenebis(2,6-di-tert-butylphenol) - ≥98% , CAS No.118-82-1

CAS: 118-82-1 Cat. No.: M158326 Peso molecular: 424.67 Número EC: 204-279-1

GRADE & PURITY ≥98%

Synonyms

bis-BHT | ETHANOX 702 | H 301/92 | STK709201 | Tox21_303566 | W-108535 | 3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane | AKOS001063755 | M0214 | 4,4'-methyl enebis(2,6-di-t-butylphenol) | Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane | 4,4'-Dihy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

bis-BHT | ETHANOX 702 | H 301/92 | STK709201 | Tox21_303566 | W-108535 | 3, 3', 5, 5'-Tetra-tert-butyl-4, 4'-dihydroxydiphenylmethane | AKOS001063755 | M0214 | 4, 4'-methyl enebis(2, 6-di-t-butylphenol) | Di(3, 5-di-tert-butyl-4-hydroxyphenyl)methane | 4, 4'-Dihy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751658
• Sonrisas canónicas: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
• IUPAC Name: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
• InChIKey: MDWVSAYEQPLWMX-UHFFFAOYSA-N
• INCHI: 1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
• Isómeros SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
• RTECS: SL9650000
• Peso molecular: 424.67
• Reaxy-Rn: 1916919
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1916919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Degree of Solubility in water: < 10 mg/l 20 °C
• Punto de fusión (°C): 155 °C
• Peso molecular: 424.700 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 424.334 Da
• Monoisotopic Mass: 424.334 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Ying Zhang, Feipeng Wang, Shi Li, Sichen Yan, Bojun Li, Zhengyong Huang, Jian Li.  (2024)  Comparison of Phenolic Antioxidants’ Impact on Thermal Oxidation Stability of Pentaerythritol Ester Insulating Oil.  IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION,      [PMID:] [10.1109/TDEI.2024.3487148]

2. Shuai Peng, Qing Yang, Jianfang Liu, Dan Jia, Ke Chen, Yueting Zhu, Chenglingzi Yi, Yaoyun Zhang.  (2025)  Design and performance optimization of rapeseed oil-based lubricants aided by machine learning.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2025.110878]