Basic information Safety Supplier Related

2,4,6-Trimethylbenzophenone

Basic information Safety Supplier Related

2,4,6-Trimethylbenzophenone Basic information

Product Name:
2,4,6-Trimethylbenzophenone
Synonyms:
  • Ketone, mesityl phenyl
  • Mesityl phenyl ketone
  • Mesityl(phenyl)methanone
  • Mesitylene, 2-benzoyl-
  • Methanone, phenyl(2,4,6-trimethylphenyl)-
  • phenyl(2,4,6-trimethylphenyl)-methanon
  • 2,4,6-TRIMETHYLBENZOPHENONE
  • sodium 4-(1-oxooctoxy)benzenesulfonate
CAS:
954-16-5
MF:
C16H16O
MW:
224.3
EINECS:
403-150-9
Product Categories:
  • Aromatic Benzophenones & Derivatives (substituted)
  • 954-16-5
Mol File:
954-16-5.mol
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2,4,6-Trimethylbenzophenone Chemical Properties

Melting point:
35 °C
Boiling point:
326.5-327 °C(Press: 777 Torr)
Density 
1.036±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), DMSO (Slightly)
form 
Low-Melting Solid
color 
White to Off-White
InChI
InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
HPAFOABSQZMTHE-UHFFFAOYSA-N
SMILES
C(C1=CC=CC=C1)(C1=C(C)C=C(C)C=C1C)=O
LogP
4.560 (est)
CAS DataBase Reference
954-16-5(CAS DataBase Reference)
NIST Chemistry Reference
Benzophenone, 2,4,6-trimethyl-(954-16-5)
EPA Substance Registry System
Methanone, phenyl(2,4,6-trimethylphenyl)- (954-16-5)
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Safety Information

Hazard Codes 
Xn,N
Risk Statements 
22-36-50/53
Safety Statements 
26-60-61
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2,4,6-Trimethylbenzophenone Usage And Synthesis

Uses

2,4,6-Trimethylbenzophenone can be used for a consensus modeling for prediction of estrogenic activity of ingredients commonly used in sunscreen products.

Synthesis Reference(s)

Tetrahedron Letters, 40, p. 3109, 1999 DOI: 10.1016/S0040-4039(99)00476-1

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