2,2'-Methylenebis(4-methylphenol) - ≥90%(HPLC) , CAS No.3236-63-3

CAS: 3236-63-3 Cat. No.: M157869 Formula: C₁₅H₁₆O₂ Peso molecolare: 228.29 Numero EC: 221-794-7

GRADE & PURITY ≥90%(HPLC)

Synonyms

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol | SCHEMBL50622 | 2,2'-Dihydroxy-5,5'-dimethyldiphenylmethane | Phenol, 2,2'-methylenebis(4-methyl- | BS-44019 | 2,2'-Methylenebis(p-cresol) | DTXSID0062923 | M1134 | AKOS015839106 | 2,2'-methylene bis-p-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol | SCHEMBL50622 | 2,2'-Dihydroxy-5,5'-dimethyldiphenylmethane | Phenol, 2,2'-methylenebis(4-methyl- | BS-44019 | 2,2'-Methylenebis(p-cresol) | DTXSID0062923 | M1134 | AKOS015839106 | 2,2'-methylene bis-p-

Specifiche e purezza

≥90%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%(HPLC)

Nomi e identificatori

Pubchem Sid

528755082

Sorrisi canonici

CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C)O

IUPAC Name

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol

InChIKey

XZXYQEHISUMZAT-UHFFFAOYSA-N

INCHI

1S/C15H16O2/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17/h3-8,16-17H,9H2,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C)O

Peso molecolare

228.29

Reaxy-Rn

1880999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1880999&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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: Not available

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 125 °C
• Peso molecolare: 228.290 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.115 Da
• Monoisotopic Mass: 228.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 217.000
• 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