2415-24-9
| Name | Catalpol |
| CAS | 2415-24-9 |
| EINECS(EC#) | 219-324-0 |
| Molecular Formula | C15H22O10 |
| MDL Number | MFCD00066264 |
| Molecular Weight | 362.33 |
| MOL File | 2415-24-9.mol |
Chemical Properties
| Melting point | 203-205°C |
| Boiling point | 675.6±55.0 °C(Predicted) |
| density | 1.72±0.1 g/cm3(Predicted) |
| storage temp. | ?20°C |
| solubility | DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly) |
| form | Solid |
| pka | 12.79±0.70(Predicted) |
| color | White to Off-White |
| InChI | InChI=1/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/s3 |
| InChIKey | LHDWRKICQLTVDL-CLLMHHLUSA-N |
| SMILES | C([C@]12O[C@H]1[C@@H](O)[C@]1([H])C=CO[C@@H](O[C@@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)[C@]21[H])O |&1:1,3,4,6,11,13,15,16,18,20,25,r| |
| LogP | -4.609 (est) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | LZ5776816 |
| HS Code | 29389090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |