3,4-Cyclohexenoesculetin β-D-galactopyranoside
- Product Name3,4-Cyclohexenoesculetin β-D-galactopyranoside
- CAS182805-65-8
- CBNumberCB12562019
- MFC19H22O9
- MW394.38
- MDL NumberMFCD29049809
- MOL File182805-65-8.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 733.2±60.0 °C(Predicted) |
| Density | 1.62±0.1 g/cm3(Predicted) |
| storage temp. | room temp |
| solubility | DMF: soluble50mg/mL |
| form | powder |
| pka | 8.36±0.20(Predicted) |
| InChI | 1S/C19H22O9/c20-7-14-15(22)16(23)17(24)19(28-14)27-13-6-12-10(5-11(13)21)8-3-1-2-4-9(8)18(25)26-12/h5-6,14-17,19-24H,1-4,7H2/t14-,15+,16+,17-,19-/m1/s1 |
| InChIKey | HDJJDRXZHJRVGA-DIKXUDHVSA-N |
| SMILES | OC[C@H]1O[C@@H](Oc2cc3OC(=O)C4=C(CCCC4)c3cc2O)[C@H](O)[C@@H](O)[C@H]1O |
| UNSPSC Code | 12352200 |
| NACRES | NA.85 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |