480-44-4

Name Acacetin
CAS 480-44-4
EINECS(EC#) 207-552-3
Molecular Formula C16H12O5
MDL Number MFCD00016936
Molecular Weight 284.26
MOL File 480-44-4.mol

Chemical Properties

Melting point  260-265 °C(lit.)
Boiling point  346.76°C (rough estimate)
density  1.2160 (rough estimate)
refractive index  1.6200 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Very Slightly, Heated)
form  Solid
pka 6.51±0.40(Predicted)
color  Light Yellow to Green-Yellow to Dark Yellow
λmax 335nm(EtOH)(lit.)
Merck  13,13
BRN  277879
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
InChIKey DANYIYRPLHHOCZ-UHFFFAOYSA-N
SMILES COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2 || COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
LogP 2.443 (est)
CAS DataBase Reference 480-44-4(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P305+P351+P338-P337+P313-P261
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 .
WGK Germany  3
RTECS  DJ3002000
F  3-8-10
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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