37841-91-1
| Name | ISOVELLERAL |
| CAS | 37841-91-1 |
| Molecular Formula | C15H20O2 |
| MDL Number | MFCD01735881 |
| Molecular Weight | 232.32 |
| MOL File | 37841-91-1.mol |
Chemical Properties
| Melting point | 104.5-105 °C |
| Boiling point | 322.8±35.0 °C(Predicted) |
| density | 1.211±0.06 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | H2O: insoluble |
| form | solid |
| color | white |
| Water Solubility | H2O: insoluble organic solvents: soluble |
| InChI | 1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1 |
| InChIKey | PJAAESPGJOSQGZ-DZGBDDFRSA-N |
| SMILES | [H]C(=O)C1=C[C@]2([H])CC(C)(C)C[C@]2([H])[C@]3(C)C[C@@]13C([H])=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | GZ2245000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |