58749-22-7
| Name | LICOCHALCONE-A |
| CAS | 58749-22-7 |
| EINECS(EC#) | 635-678-2 |
| Molecular Formula | C21H22O4 |
| MDL Number | MFCD01417903 |
| Molecular Weight | 338.4 |
| MOL File | 58749-22-7.mol |
Chemical Properties
| Melting point | 100° |
| Boiling point | 532.6±50.0 °C(Predicted) |
| density | 1.171±0.06 g/cm3(Predicted) |
| storage temp. | ?20°C |
| solubility | DMF:25.0(Max Conc. mg/mL);73.88(Max Conc. mM) DMSO:37.67(Max Conc. mg/mL);111.31(Max Conc. mM) Ethanol:43.5(Max Conc. mg/mL);128.54(Max Conc. mM) |
| form | Yellow solid |
| pka | 7.82±0.15(Predicted) |
| color | Yellow-orange |
| BRN | 4534154 |
| InChI | InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ |
| InChIKey | KAZSKMJFUPEHHW-DHZHZOJOSA-N |
| SMILES | C(C1=CC=C(O)C=C1)(=O)/C=C/C1=CC(C(C)(C)C=C)=C(O)C=C1OC |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | UB8755000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |