Cas no 3976-35-0 (1,3,5-trimethyl-2-phenylbenzene)

1,3,5-Trimethyl-2-phenylbenzene is a substituted aromatic compound featuring a phenyl group attached to a symmetrically methylated benzene ring. Its well-defined molecular structure and high purity make it suitable for use as an intermediate in organic synthesis, particularly in the development of specialty chemicals and advanced materials. The compound’s stability and predictable reactivity are advantageous in controlled reactions, such as cross-coupling or functionalization processes. Additionally, its symmetrical substitution pattern contributes to consistent physicochemical properties, ensuring reproducibility in research and industrial applications. This compound is commonly employed in pharmaceuticals, agrochemicals, and material science due to its robust aromatic framework and synthetic versatility.
1,3,5-trimethyl-2-phenylbenzene structure
3976-35-0 structure
Product Name:1,3,5-trimethyl-2-phenylbenzene
CAS No:3976-35-0
MF:C15H16
MW:196.287544250488
MDL:MFCD00715748
CID:44641
PubChem ID:19876
Update Time:2025-10-29

1,3,5-trimethyl-2-phenylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Trimethylbiphenyl
    • 1,3,5-Trimethyl-2-phenylbenzene
    • 1,1'-Biphenyl,2,4,6-trimethyl-
    • 1-phenyl-2,4,6-trimethylbenzene
    • 2,4,6-Trimethyl-1,1'-biphenyl
    • 2,4,6-trimethyldiphenyl
    • 2-phenylmesitylene
    • AC1L2F25
    • AG-F-40522
    • Biphenyl,2,4,6-trimethyl- (6CI,7CI,8CI)
    • CTK4I1851
    • Mesitylbenzene
    • Phenyl-mesitylen
    • DTXSID30192841
    • EN300-248254
    • 1,1'-Biphenyl, 2,4,6-trimethyl-
    • 3976-35-0
    • AKOS037621573
    • 1,3,5-trimethyl-2-phenylbenzene
    • MDL: MFCD00715748
    • Inchi: 1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
    • InChI Key: CDKUYUULLQLNFF-UHFFFAOYSA-N
    • SMILES: C1(C2C=CC=CC=2)C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 196.12528
  • Monoisotopic Mass: 196.125
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.6
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: 0.964
  • Boiling Point: 275°C at 760 mmHg
  • Flash Point: 118.7°C
  • Refractive Index: 1.554
  • PSA: 0

1,3,5-trimethyl-2-phenylbenzene Pricemore >>

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