486-55-5

Name DAPHNIN
CAS 486-55-5
Molecular Formula C15H16O9
MDL Number MFCD28053406
Molecular Weight 340.28
MOL File 486-55-5.mol
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Chemical Properties

Melting point  216-217 °C
alpha  D22 -124° (15 mg in 4 ml MeOH); D22 -115° (abs MeOH) (Wessely, Sturm); D15 -84.2° (MeOH) (Hattori)
Boiling point  670.0±55.0 °C(Predicted)
density  1.679±0.06 g/cm3(Predicted)
storage temp.  -20°C, protect from light
form  Solid
pka 6.87±0.20(Predicted)
color  Light brown to khaki
InChI 1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
InChIKey HOIXTKAYCMNVMY-PVOAASPHSA-N
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2c(c3[o][c](ccc3cc2)=O)O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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