511-15-9
| Name | TOTAROL |
| CAS | 511-15-9 |
| EINECS(EC#) | 200-158-5 |
| Molecular Formula | C20H30O |
| MDL Number | MFCD02094185 |
| Molecular Weight | 286.45 |
| MOL File | 511-15-9.mol |
Chemical Properties
| Melting point | 128-132 °C(lit.) |
| Boiling point | 369.4±31.0 °C(Predicted) |
| density | 0.988±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 10.90±0.60(Predicted) |
| color | Off-White to Light Brown |
| Optical Rotation | +41.320 (c4, ethanol) |
| Cosmetics Ingredients Functions | DEODORANT ORAL CARE ANTIOXIDANT |
| InChI | InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1 |
| InChIKey | ZRVDANDJSTYELM-FXAWDEMLSA-N |
| SMILES | C1(C(C)C)=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC=C1O |
| LogP | 6.405 (est) |
| EPA Substance Registry System | 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)- (511-15-9) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H335-H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |