518-82-1

Name Emodin
CAS 518-82-1
EINECS(EC#) 208-258-8
Molecular Formula C15H10O5
MDL Number MFCD00001207
Molecular Weight 270.24
MOL File 518-82-1.mol

Chemical Properties

Appearance red-orange powder
Melting point  255 °C (dec.)(lit.)
Boiling point  373.35°C (rough estimate)
density  1.3280 (rough estimate)
refractive index  1.5000 (estimate)
storage temp.  2-8°C
solubility  DMSO: soluble
form  powder
pka 6.39±0.20(Predicted)
color  orange
biological source Frangula bark
Water Solubility  <0.1 g/100 mL at 19 ºC
Detection Methods HPLC,NMR
Merck  3561
BRN  1888141
Major Application food and beverages
Cosmetics Ingredients Functions SKIN CONDITIONING
InChI 1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey RHMXXJGYXNZAPX-UHFFFAOYSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
LogP 3.641 (est)
CAS DataBase Reference 518-82-1(CAS DataBase Reference)
Storage Precautions Light sensitive;Air sensitive
EPA Substance Registry System 518-82-1(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312+P330-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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
RTECS  CB7920600
F  8-10-23
HS Code  29146900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 518-82-1(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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