structure of Phenyl(2,4,5-trimethylphenyl)methanone

Phenyl(2,4,5-trimethylphenyl)methanone

CAS No.: 52890-52-5
M. Wt: 224.29800
M. Fa: C16H16O
InChI Key: FTPZYWUJDVZEIE-UHFFFAOYSA-N
Appearance: Pale-yellow Liquid

Names and Identifiers of Phenyl(2,4,5-trimethylphenyl)methanone

CAS Number

52890-52-5

MDL Number

MFCD08276423

IUPAC Name

phenyl-(2,4,5-trimethylphenyl)methanone

InChI

InChI=1S/C16H16O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3

InChIKey

FTPZYWUJDVZEIE-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C

UNSPSC Code

12352100

Physical and chemical properties of Phenyl(2,4,5-trimethylphenyl)methanone

Boiling Point

328ºC

Density

1.037g/cm3

Exact Mass

224.12000

Flash Point

150.833ºC

H Bond Acceptors

1

H Bond Donors

0

Index of Refraction

1.565

LogP

3.84280

Molecular Formula

C16H16O

Molecular Weight

224.29800

PSA

17.07000

Safety Information of Phenyl(2,4,5-trimethylphenyl)methanone

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Phenyl(2,4,5-trimethylphenyl)methanone

Phenyl(2,4,5-trimethylphenyl)methanone finds applications in various fields:

  • Photoinitiators: It is used in polymerization processes as a photoinitiator due to its ability to generate free radicals upon UV irradiation.
  • Chemical Intermediates: The compound serves as an important intermediate in organic synthesis for producing more complex molecules.
  • Flavoring and Fragrance Industry: Its aromatic properties make it suitable for use in perfumes and flavoring agents.

Interaction Studies of Phenyl(2,4,5-trimethylphenyl)methanone

Interaction studies involving phenyl(2,4,5-trimethylphenyl)methanone have primarily focused on its binding affinity with biological macromolecules. Initial findings suggest that it may interact with proteins and enzymes, influencing their activity. These interactions are critical for understanding its potential therapeutic applications and safety profile.

Physical sample testing spectrum (NMR) of Phenyl(2,4,5-trimethylphenyl)methanone

Physical sample testing spectrum (NMR) of Phenyl(2,4,5-trimethylphenyl)methanone

Retrosynthesis analysis of Phenyl(2,4,5-trimethylphenyl)methanone

  • Route#1

    Cas:93-89-0
    Cas:52890-52-5

  • Route#2

    Cas:106-42-3
    Cas:120-51-4
    Cas:52890-52-5

  • Route#3

    Cas:95-63-6
    Cas:98-88-4
    Cas:52890-52-5