315-22-0
| Name | MONOCROTALINE |
| CAS | 315-22-0 |
| EINECS(EC#) | 628-506-2 |
| Molecular Formula | C16H23NO6 |
| MDL Number | MFCD00084656 |
| Molecular Weight | 325.36 |
| MOL File | 315-22-0.mol |
Chemical Properties
| Appearance | White to light tan powder |
| Melting point | 204 °C (dec.)(lit.) |
| alpha | -54.8o (C=5 IN CHLOROFORM) |
| Boiling point | 463.55°C (rough estimate) |
| density | 1.1512 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | 2-8°C |
| solubility | Soluble in DMSO (up to 50 mg/ml with warming), in Ethanol (up to 10 mg/ml with warming) or in organic solvents such as Chloroform (up to 50 mg/ml) |
| form | neat |
| pka | 12.21±0.60(Predicted) |
| color | White |
| Water Solubility | 11.86g/L(temperature not stated) |
| Merck | 13,6274 |
| BRN | 48732 |
| Stability: | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month. |
| InChI | 1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
| InChIKey | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| SMILES | [H][C@@]12[C@H]3CCN1CC=C2COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O3 |
| LogP | -0.370 (est) |
Safety Data
| Symbol(GHS) |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301-H351 |
| Precautionary statements | P201-P301+P310+P330 |
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1544 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | QB3140000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29399990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Carc. 2 |
| Safety Profile | |
| Hazardous Substances Data | 315-22-0(Hazardous Substances Data) |
| Toxicity |