GRADE & PURITY ≥96%

Synonyms

Benzene, 1,1'-(1-methylethylidene)bis- | DIMETHYLDIPHENYLMETHANE | FT-0632943 | 1,1'-(2,2-Propanediyl)dibenzene | (1-Methyl-1-phenylethyl)benzene # | EINECS 212-292-9 | Q15726113 | 2-phenylpropan-2-ylbenzene | propane-2,2-diyldibenzene | (1-methyl-1-pheny

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzene, 1, 1'-(1-methylethylidene)bis- | DIMETHYLDIPHENYLMETHANE | FT-0632943 | 1, 1'-(2, 2-Propanediyl)dibenzene | (1-Methyl-1-phenylethyl)benzene # | EINECS 212-292-9 | Q15726113 | 2-phenylpropan-2-ylbenzene | propane-2, 2-diyldibenzene | (1-methyl-1-pheny

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488181784
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181784
• Canonical Smiles: CC(C)(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: 2-phenylpropan-2-ylbenzene
• InChIKey: MILSYCKGLDDVLM-UHFFFAOYSA-N
• INCHI: 1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
• Isomeric SMILES: CC(C)(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 196.29
• Beilstein: 2041894
• Reaxy-Rn: 2041894
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041894&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.57
• Boil Point(°C): 282°C
• Melt Point(°C): 26-28°C
• Molecular Weight: 196.290 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.125 Da
• Monoisotopic Mass: 196.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 160.000
• 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

References

1. Yang Feng, Min Sun, Mingxia Sun, Jiaqing Feng, Haili Sun, Juanjuan Feng.  (2022)  Extraction performance-structure relationship of polyamidoamine dendrimers on silica for online solid-phase extraction of organic pollutants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35576765] [10.1016/j.chroma.2022.463132]

2. Min Sun, Jiaqing Feng, Yang Feng, Xubo Xin, Yali Ding, Juanjuan Feng.  (2024)  Core-shell silica@pyridyl conjugated microporous polymer as a stationary phase for high performance liquid chromatography.  ANALYTICA CHIMICA ACTA,      [PMID:38309855] [10.1016/j.aca.2024.342258]

3. Xiaomin Li, Mingxia Sun, Yang Feng, Yanming Liu, Yanli Wang, Juanjuan Feng, Min Sun.  (2024)  Ionic liquid-functionalized covalent organic frameworks on the surface of silica for online solid-phase extraction.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39096780] [10.1016/j.chroma.2024.465200]

4. Guanyu Lu, Guohuan Zhang, Yiqiu Wei, Peiqi Luo.  (2026)  Silver Ion Assisted Paper Spray Ionization Mass Spectrometry for Bisphenols and Derivatives Analysis.  JOURNAL OF MASS SPECTROMETRY,  61  (2): (e70032).  [PMID:41562292] [10.1002/jms.70032]