Catalpol
- Product NameCatalpol
- CAS2415-24-9
- MFC15H22O10
- MW362.33
- EINECS219-324-0
- MOL File2415-24-9.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. | Inert atmosphere,Store in freezer, under -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 Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| 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 | mouse,LD,intravenous,> 2500mg/kg (2500mg/kg),Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 93, 1968. |
