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Acetoacetic acid n-propyl ester Structure

Acetoacetic acid n-propyl ester

  • Product NameAcetoacetic acid n-propyl ester
  • CAS1779-60-8
  • CBNumberCB4747754
  • MFC7H12O3
  • MW144.17
  • EINECS217-223-6
  • MDL NumberMFCD00059405
  • MOL File1779-60-8.mol

Chemical Properties

Melting point: 158-160 °C(Solv: ethyl ether (60-29-7))
Boiling point: 194 °C
Density  1.01
refractive index  1.42
Flash point: 73 °C
form  clear liquid
pka 10.69±0.46(Predicted)
color  Colorless to Almost colorless
InChI 1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey DHGFMVMDBNLMKT-UHFFFAOYSA-N
SMILES CCCOC(=O)CC(C)=O
LogP 0.877 (est)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H227-H315-H319
Precautionary statements  P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
WGK Germany  WGK 3
HS Code  2918300090
Storage Class 11 - Combustible Solids
NFPA 704:
0
1 0

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