41031-50-9
| Name | 2-(1-ADAMANTYL)-4-METHYLPHENOL |
| CAS | 41031-50-9 |
| Molecular Formula | C17H22O |
| MDL Number | MFCD00168147 |
| Molecular Weight | 242.36 |
| MOL File | 41031-50-9.mol |
Chemical Properties
| Melting point | 128-130 °C(lit.) |
| Boiling point | 359.9±21.0 °C(Predicted) |
| density | 1.137±0.06 g/cm3 (20 ºC 760 Torr) |
| form | Powder |
| pka | 10.43±0.43(Predicted) |
| color | White |
| Water Solubility | Sparingly Soluble in water (7.8E-3 g/L) (25°C). |
| InChI | 1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3/t12-,13+,14-,17- |
| InChIKey | XHLJIHBDAJFXBE-ZZNDEYBLSA-N |
| SMILES | Cc1ccc(O)c(c1)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2907290090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |