
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
| Symbol(GHS) | ![]() ![]() GHS07,GHS08 |
| 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 | |
| Safety Statements | |
| RIDADR | 1544 |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29329900 |
| 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 |

