NEOSOLANIOL
- Product NameNEOSOLANIOL
- CAS36519-25-2
- CBNumberCB7740079
- MFC19H26O8
- MW382.4
- MDL NumberMFCD16661260
- MOL File36519-25-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 171.5°C |
| Boiling point | 420.3°C (rough estimate) |
| Density | 1.2248 (rough estimate) |
| refractive index | 1.4430 (estimate) |
| Flash point | 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 | Solid |
| 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 |
| FDA UNII | PLZ86LH7A6 |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| 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 | 26/27/28-36-20/21/22-11 | |||||||||
| Safety Statements | 22-36/37/39-45-36/37-16-26 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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