52025-76-0
| Name | cannabielsoin |
| CAS | 52025-76-0 |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.46 |
| MOL File | 52025-76-0.mol |
Chemical Properties
| Boiling point | 426.5±45.0 °C(Predicted) |
| density | 1.089±0.06 g/cm3(Predicted) |
| storage temp. | -10 to -25°C |
| solubility | DMF: 50 mg/ml; DMSO: 60 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg; Ethanol: 35 mg/ml |
| pka | 9.78±0.60(Predicted) |
| InChI | 1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1 |
| InChIKey | RBEAVAMWZAJWOI-MTOHEIAKSA-N |
| SMILES | O1[C@H]2[C@H]([C@@H](CC[C@@]2(O)C)C(=C)C)c3c1cc(cc3O)CCCCC |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |