159686-24-5
| Name | 1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)- |
| CAS | 159686-24-5 |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.28 |
| MOL File | 159686-24-5.mol |
Chemical Properties
| Boiling point | 390.3±22.0 °C(Predicted) |
| density | 1.147±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: 1mg/mL |
| form | solid |
| pka | 7.58±0.45(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C13H18O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h7,15-16H,4-6H2,1-3H3 |
| InChIKey | GRQAKVFPDMDUIF-UHFFFAOYSA-N |
| SMILES | OC1=C(C(O)=CC(OC)=C1C(CCC)=O)CC |