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1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Structure

1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone

  • Product Name1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
  • CAS66346-01-8
  • CBNumberCB0489755
  • MFC13H17ClO
  • MW224.73
  • MDL NumberMFCD00270771
  • MOL File66346-01-8.mol

Chemical Properties

Boiling point: 297.4±15.0 °C(Predicted)
Density  1.050±0.06 g/cm3(Predicted)
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Oil
color  Colourless
Henry's Law Constant 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3
InChIKey ILQGIJDYSLHIOX-UHFFFAOYSA-N
SMILES C(C1=CC=C(Cl)C=C1)CC(=O)C(C)(C)C
CAS DataBase Reference 66346-01-8(CAS DataBase Reference)
EPA Substance Registry System 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl- (66346-01-8)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
TSCA  TSCA listed
HS Code  2914790090

1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Chemical Properties,Usage,Production

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