537-15-5

Name ROSMARINIC ACID
CAS 537-15-5
Molecular Formula C18H16O8
MDL Number MFCD00017740
Molecular Weight 360.31
MOL File 537-15-5.mol
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Chemical Properties

Melting point  171-175 °C(lit.)
Boiling point  694.7±55.0 °C(Predicted)
density  1.547±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 2.81±0.10(Predicted)
color  White to off-white
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)
InChIKey DOUMFZQKYFQNTF-UHFFFAOYSA-N
SMILES C(C1C=CC(=C(C=1)O)O)C(C(=O)O)OC(=O)C=CC1C=CC(=C(C=1)O)O

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  GD8990000
F  10-23
Hazardous Substances Data 537-15-5(Hazardous Substances Data)

Hazard Information

Spectrum Detail

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