630-64-8
| Name | ALLEOSIDE A |
| CAS | 630-64-8 |
| EINECS(EC#) | 211-140-9 |
| Molecular Formula | C29H42O9 |
| MDL Number | MFCD07777012 |
| Molecular Weight | 534.64 |
| MOL File | 630-64-8.mol |
Chemical Properties
| Melting point | 170°C (dec.) |
| Boiling point | 532.44°C (rough estimate) |
| density | 1.36±0.1 g/cm3 (20 ºC 760 Torr) |
| refractive index | 1.5500 (estimate) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 13.68±0.70(Predicted) |
| color | White to off-white |
| InChIKey | QBILRDAMJUPXCX-AGAUEGNUSA-N |
| SMILES | O[C@@]12[C@]3([H])CC[C@]4(O)C[C@@H](O[C@]5([H])O[C@H](C)[C@@H](O)[C@@H](O)C5)CC[C@]4(C([H])=O)[C@@]3([H])CC[C@]1(C)[C@@H](C(CO6)=CC6=O)CC2 |
Safety Data
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3249 |
| WGK Germany | WGK 3 |
| RTECS | FH4919830 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |