4,4'-Dimethylbenzhydrol - ≥98% , CAS No.885-77-8

CAS: 885-77-8 Cat. No.: D404255 Fórmula: C₁₅H₁₆O Peso molecular: 212.29 Número CE: 674-260-4

GRADE & PURITY ≥98%

Synonyms

NSC129834 | NSC-129834 | Di-p-Tolylmethanol | dip-tolylmethanol | 4,4'-Dimethylbenzhydrol | Benzhydrol, 4,4'-dimethyl- | BS-23189 | AMY41603 | Di-(4-tolyl)-methanol | FT-0617088 | Bis(4-methylphenyl)methanol # | bis(4-methylphenyl)carbinol | Bis(4-methylp

Storage

Room temperature

Visão geral

Maximum Absorption Wavelength:472(H2SO4 aq.)nm

4,4'-Dimethyldiphenylmethanol;Di-p-tolylmethanol;Bis(p-tolyl) carbinol

Specifications

Sinónimos

NSC129834 | NSC-129834 | Di-p-Tolylmethanol | dip-tolylmethanol | 4,4'-Dimethylbenzhydrol | Benzhydrol, 4,4'-dimethyl- | BS-23189 | AMY41603 | Di-(4-tolyl)-methanol | FT-0617088 | Bis(4-methylphenyl)methanol # | bis(4-methylphenyl)carbinol | Bis(4-methylp

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488189222

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189222

Sorrisos canónicos

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

IUPAC Name

bis(4-methylphenyl)methanol

InChIKey

RGYZQSCFKFDECZ-UHFFFAOYSA-N

INCHI

1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3

SMILES isoméricas

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

Peso molecular

212.29

Reaxy-Rn

1874128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874128&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: Toluenes Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Toluene - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Soluble in Methanol
• Ponto de fusão (°C): 71 °C
• Peso molecular: 212.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.12 Da
• Monoisotopic Mass: 212.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 175.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 885-77-8, the molecular formula is C15H16O, and the molecular weight is 212.29 g/mol. InChIKey RGYZQSCFKFDECZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.