Baccatine III
- Product NameBaccatine III
- CAS27548-93-2
- MFC31H38O11
- MW586.63
- EINECS
- MOL File27548-93-2.mol
Chemical Properties
| 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. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMSO : 125 mg/mL (213.08 mM; Need ultrasonic) |
| pka | 12.76±0.70(Predicted) |
| form | Solid |
| 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 Information
| Hazard Codes | T |
| Risk Statements | 45-46-22-36/37/38-48/20/22 |
| Safety Statements | 53-22-26-36/37/39-45-24/25 |
| RIDADR | 1544 |
| WGK Germany | 3 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29329990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 1B Eye Irrit. 2 Muta. 1B Skin Irrit. 2 STOT SE 3 |
