27548-93-2

Name Baccatine III
CAS 27548-93-2
Molecular Formula C31H38O11
MDL Number MFCD00153921
Molecular Weight 586.63
MOL File 27548-93-2.mol
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Chemical Properties

Appearance White to Off-White Powder
Melting point  229-234 °C
Boiling point  562.81°C (rough estimate)
density  1.2062 (rough estimate)
refractive index  1.5455-1.5475
storage temp.  2-8°C
solubility  DMSO : 125 mg/mL (213.08 mM; Need ultrasonic)
form  Solid
pka 12.76±0.70(Predicted)
color  White to off-white
Water Solubility  insoluble
Stability: 4 Year Shelf Life
InChIKey OVMSOCFBDVBLFW-VHLOTGQHSA-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](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
CAS DataBase Reference 27548-93-2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Danger
Hazard statements  H315-H319-H335-H340-H350
Precautionary statements  P201-P202-P261-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  1544
WGK Germany  3
HazardClass  6.1(b)
PackingGroup  III
HS Code  29329990

Hazard Information

Spectrum Detail

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