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32981-86-5

Name 10-Deacetylbaccatin III
CAS 32981-86-5
EINECS(EC#) 418-680-6
Molecular Formula C29H36O10
MDL Number MFCD00132913
Molecular Weight 544.59
MOL File 32981-86-5.mol

Chemical Properties

Appearance White Solid
Melting point  231-236 °C
alpha  -44.5 º (c=1, methanol 25 ºC)
Boiling point  717℃
density  1.2007 (rough estimate)
refractive index  1.5376 (estimate)
Fp  >110°(230°F)
storage temp.  2-8°C
solubility  methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)
form  Powder
pka 11.50±0.70(Predicted)
color  white
Water Solubility  INSOLUBLE
Usage A intermediate in the synthesis of Taxol and derivatives
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)

Safety Data

Hazard Codes  T
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  1544
WGK Germany  3
HazardClass  6.1(b)
PackingGroup  III
HS Code  29329900

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