Morellic acid
- Product NameMorellic acid
- CAS5304-71-2
- CBNumberCB22696360
- MFC33H36O8
- MW560.64
- MDL NumberMFCD32661899
- MOL File5304-71-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 94℃ |
| Boiling point | 777.6±60.0 °C(Predicted) |
| Density | 1.36±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | Soluble in chloroform and DMSO |
| form | Powder |
| pka | 4.58±0.36(Predicted) |
| color | Orange to red |
| InChI | 1S/C29H31N3O2/c1-21-8-13-28-25(18-21)27-19-26(23-9-11-24(33-2)12-10-23)30-32(27)29(34-28)14-16-31(17-15-29)20-22-6-4-3-5-7-22/h3-13,18,27H,14-17,19-20H2,1-2H3 |
| InChIKey | XYTOZJVLVMHAAC-UHFFFAOYSA-N |
| SMILES | CC(C=C1)(C)OC2=C1C(O)=C(C(C([C@@]34[C@@]5(C/C=C(C(O)=O)/C)OC(C)([C@@]4(C6)[H])C)=C[C@@]6([H])C5=O)=O)C(O3)=C2CC=C(C)C |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H301-H315-H319-H335 |
| Precautionary statements | P261-P264-P280-P301+P310+P330-P304+P340+P312 |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
