92-61-5

Name Scopoletin
CAS 92-61-5
EINECS(EC#) 202-171-9
Molecular Formula C10H8O4
MDL Number MFCD00006872
Molecular Weight 192.17
MOL File 92-61-5.mol

Chemical Properties

Appearance Crystalline Solid
Melting point  203-205 °C (lit.)
Boiling point  288.14°C (rough estimate)
density  1.2932 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Sightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Heated)
form  Crystalline Powder
pka 7.91±0.20(Predicted)
color  Beige
Water Solubility  Slightly soluble
Usage The aglucone of Scopolin. Used for cosmetics, topical formulations, and foods.
Merck  8408
BRN  156296
InChI 1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey RODXRVNMMDRFIK-UHFFFAOYSA-N
SMILES COc1cc2C=CC(=O)Oc2cc1O
LogP 1.280 (est)
CAS DataBase Reference 92-61-5(CAS DataBase Reference)
NIST Chemistry Reference 7-Hydroxy-6-methoxy-2h-1-benzopyran-2-one(92-61-5)
EPA Substance Registry System 92-61-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P305+P351+P338
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 .
WGK Germany  2
RTECS  GN6930000
HS Code  29322090
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier