4,4'-Dihydroxy-2,2',3,3',5,5'-hexamethylbiphenyl - ≥98% , CAS No.19956-76-4

CAS: 19956-76-4 Cat. No.: D302699 Molecular Weight: 270.37

GRADE & PURITY ≥98%

Synonyms

DTXSID50350860 | MFCD00274654 | I12072 | 4,4'-Bi[2,3,6-trimethylphenol] | 4,4'-Dihydroxy-2,2',3,3',5,5'-hexamethylbiphenyl | AKOS032948066 | [1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5'-hexamethyl- | AS-69318 | 2,2',3,3',6,6'-hexamethyl-4,4'-biphenol | 2,2',

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID50350860 | MFCD00274654 | I12072 | 4, 4'-Bi[2, 3, 6-trimethylphenol] | 4, 4'-Dihydroxy-2, 2', 3, 3', 5, 5'-hexamethylbiphenyl | AKOS032948066 | [1, 1'-Biphenyl]-4, 4'-diol, 2, 2', 3, 3', 5, 5'-hexamethyl- | AS-69318 | 2, 2', 3, 3', 6, 6'-hexamethyl-4, 4'-biphenol | 2, 2',

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191103
• Canonical Smiles: CC1=CC(=C(C(=C1O)C)C)C2=C(C(=C(C(=C2)C)O)C)C
• IUPAC Name: 4-(4-hydroxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenol
• InChIKey: IOJCFCLZQBXCIQ-UHFFFAOYSA-N
• INCHI: 1S/C18H22O2/c1-9-7-15(11(3)13(5)17(9)19)16-8-10(2)18(20)14(6)12(16)4/h7-8,19-20H,1-6H3
• Isomeric SMILES: CC1=CC(=C(C(=C1O)C)C)C2=C(C(=C(C(=C2)C)O)C)C
• Molecular Weight: 270.37
• Reaxy-Rn: 2979978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2979978&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenols
• Alternative Parents: Biphenyls and derivatives Ortho cresols Meta cresols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenol - Biphenyl - O-cresol - M-cresol - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.
• 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

Chemical and Physical Properties

• Melt Point(°C): 229 °C
• Molecular Weight: 270.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 270.162 Da
• Monoisotopic Mass: 270.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 297.000
• 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