10-Deacetylbaccatin III
- Product Name10-Deacetylbaccatin III
- CAS32981-86-5
- CBNumberCB3447497
- MFC29H36O10
- MW544.59
- EINECS418-680-6
- MDL NumberMFCD00132913
- MOL File32981-86-5.mol
- MSDS FileSDS
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 |
| UNSPSC Code | 51102829 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| 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 | |||||||||
| 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 RE 2 STOT SE 3 | |||||||||
| NFPA 704: |
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