Bisphenol TMC - ≥98% , CAS No.129188-99-4

CAS: 129188-99-4 Cat. No.: B302335 Fórmula: C₂₁H₂₆O₂ Peso molecular: 310.43 Número EC: 603-320-4

GRADE & PURITY ≥98%

Synonyms

US9688816, J | BDBM176759 | AS-68282 | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- | Bisphenol TMC 100 microg/mL in Methanol | SCHEMBL18187 | A888889 | 2~3~,2~3~,2~5~-Trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

US9688816, J | BDBM176759 | AS-68282 | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- | Bisphenol TMC 100 microg/mL in Methanol | SCHEMBL18187 | A888889 | 2~3~,2~3~,2~5~-Trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528770527
• Sonrisas canónicas: CC1CC(CC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)(C)C
• IUPAC Name: 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
• InChIKey: UMPGNGRIGSEMTC-UHFFFAOYSA-N
• INCHI: 1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
• Isómeros SMILES: CC1CC(CC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)(C)C
• Peso molecular: 310.43
• Reaxy-Rn: 9785841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9785841&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: Cyclohexylphenols 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Cyclohexylphenol - 1-hydroxy-2-unsubstituted benzenoid - 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: 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

Propiedades químicas y físicas

• Peso molecular: 310.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 310.193 Da
• Monoisotopic Mass: 310.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1