(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
- Product Name(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
- CAS5875-49-0
- CBNumberCB12272297
- MFC15H18O5
- MW278.3
- MDL NumberMFCD18974714
- MOL File5875-49-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 130-131 °C(Solv: ethyl ether (60-29-7)) |
| Boiling point | 500.5±50.0 °C(Predicted) |
| Density | 1.271±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | Powder |
| pka | 14.46±0.20(Predicted) |
| color | White to off-white |
| optical activity | [α]/D -32.0 to -26.0°, c =0.11 in chloroform |
| InChI | InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m0/s1 |
| InChIKey | KGGUASRIGLRPAX-LBPRGKRZSA-N |
| SMILES | C1(=O)OC2=C(C[C@H](O)C(O)(C)C)C(OC)=CC=C2C=C1 |
| LogP | 0.610 (est) |
| UNSPSC Code | 41116107 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H410 |
| Precautionary statements | P273-P501 |
| Hazard Codes | N |
| Risk Statements | 50 |
| Safety Statements | 61 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 |