521-61-9

Name Emodin-3-methyl ether
CAS 521-61-9
EINECS(EC#) 208-315-7
Molecular Formula C16H12O5
MDL Number MFCD00017374
Molecular Weight 284.26
MOL File 521-61-9.mol
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Chemical Properties

Melting point  196-206°C
Boiling point  560.5±50.0 °C(Predicted)
density  1.448±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under Inert Atmosphere
solubility  Chloroform (Slightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
form  neat
pka 6.23±0.20(Predicted)
color  Yellow to Dark Yellow to Dark Orange
BRN  6770499
Stability: Hygroscopic
Major Application food and beverages
InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
InChIKey FFWOKTFYGVYKIR-UHFFFAOYSA-N
SMILES C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC(C)=C3)=CC(OC)=C1
LogP 5.078 (est)
CAS DataBase Reference 521-61-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  CB6720000
F  10
HS Code  29146990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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