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5-(4-Methoxy-phenyl)-cyclohexane-1,3-dione Structure

5-(4-Methoxy-phenyl)-cyclohexane-1,3-dione

  • Product Name5-(4-Methoxy-phenyl)-cyclohexane-1,3-dione
  • CAS1774-12-5
  • CBNumberCB4131083
  • MFC13H14O3
  • MW218.25
  • MDL NumberMFCD00104791
  • MOL File1774-12-5.mol

Chemical Properties

Melting point: 179.5-183.5 °C(lit.)
Boiling point: 394.4±42.0 °C(Predicted)
Density  1.163±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
pka 4.95±0.20(Predicted)
Appearance White to light yellow Solid
InChI 1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3
InChIKey AHYCBDWPHFFKFK-UHFFFAOYSA-N
SMILES COc1ccc(cc1)C2CC(=O)CC(=O)C2

Safety

Symbol(GHS)  Exclamation Mark (GHS07)Flame (GHS02)
GHS07,GHS02
Signal word  Warning
Hazard statements  H302-H315-H319-H226
Precautionary statements  P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
PPE Eyeshields, Gloves, type N95 (US)
WGK Germany  3
HazardClass  IRRITANT
HS Code  2914509090
Storage Class 11 - Combustible Solids

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