64506-49-6

Name Sofalcone
CAS 64506-49-6
EINECS(EC#) 1308068-626-2
Molecular Formula C27H30O6
MDL Number MFCD00868207
Molecular Weight 450.52
MOL File 64506-49-6.mol

Chemical Properties

Melting point  143-144°
Boiling point  478.6°C (rough estimate)
density  1.1362 (rough estimate)
refractive index  1.4870 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
pka 2.98±0.10(Predicted)
color  Light Yellow
InChI InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)
InChIKey GFWRVVCDTLRWPK-UHFFFAOYSA-N
SMILES C(O)(=O)COC1=CC(OC/C=C(\C)/C)=CC=C1C(=O)C=CC1=CC=C(OC/C=C(\C)/C)C=C1
CAS DataBase Reference 64506-49-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Toxicity
LD50 in mice, rats: >10 g/kg orally (Tarumoto)

Hazard Information

Questions And Answer

Spectrum Detail

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