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10-Deacetylbaccatin III Structure

10-Deacetylbaccatin III

Chemical Properties

Melting point 231-236 °C
Boiling point 717℃
alpha  -44.5 º (c=1, methanol 25 ºC)
Density  1.2007 (rough estimate)
refractive index  1.5376 (estimate)
Flash point >110°(230°F)
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)
form  Powder
pka 11.50±0.70(Predicted)
color  white
Water Solubility  INSOLUBLE
InChIKey YWLXLRUDGLRYDR-IYNRKYTHSA-N
SMILES O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](O)C4)[C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
LogP 0.156 (est)
CAS DataBase Reference 32981-86-5(CAS DataBase Reference)
FDA UNII 4K6EWW2Z45

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H315-H319-H335-H340-H350-H373
Precautionary statements P201-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  T
Risk Statements  23/24/25
Safety Statements  45-38-36/37/39-28A-24/25
RIDADR  1544
WGK Germany  3
HazardClass  6.1(b)
PackingGroup  III
HS Code  29329990
NFPA 704:
0
4 0

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