36519-25-2
| Name | NEOSOLANIOL |
| CAS | 36519-25-2 |
| Molecular Formula | C19H26O8 |
| MDL Number | MFCD00078753 |
| Molecular Weight | 382.4 |
| MOL File | 36519-25-2.mol |
Chemical Properties
| Melting point | 171.5°C |
| Boiling point | 420.3°C (rough estimate) |
| density | 1.2248 (rough estimate) |
| refractive index | 1.4430 (estimate) |
| Fp | 2 °C |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:4): 0.2 mg/ml; DMSO: 30 mg/ml; Ethanol: 20 mg/ml |
| form | neat |
| pka | 13.32±0.70(Predicted) |
| color | White to off-white |
| Major Application | agriculture cleaning products cosmetics food and beverages personal care |
| InChIKey | TVZHDVCTOCZDNE-WVJYZQHISA-N |
| SMILES | CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]34CO4 |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H300+H310+H330 |
| Precautionary statements | P260-P262-P264-P280-P302+P352+P310-P304+P340+P310 |
| Hazard Codes | T+,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | YD0080000 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| HS Code | 29329990 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Inhalation Acute Tox. 2 Dermal Acute Tox. 2 Oral |