Baccatine III
- Product NameBaccatine III
- CAS27548-93-2
- CBNumberCB1380992
- MFC31H38O11
- MW586.63
- MDL NumberMFCD00153921
- MOL File27548-93-2.mol
- MSDS FileSDS
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 |
| FDA UNII | 40K5PZ0K67 |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
 
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| 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 | 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 | |||||||||
| NFPA 704: |
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