13849-08-6
| Name | marmesin |
| CAS | 13849-08-6 |
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.26 |
| MOL File | 13849-08-6.mol |
Chemical Properties
| Melting point | 189-191℃ |
| Boiling point | 434℃ |
| density | 1.334 |
| Fp | 168℃ |
| storage temp. | Store at -20°C |
| solubility | Ethanol:2.0(Max Conc. mg/mL);8.12(Max Conc. mM) DMSO:50.0(Max Conc. mg/mL);203.04(Max Conc. mM) |
| form | A crystalline solid |
| pka | 14.34±0.29(Predicted) |
| color | White to off-white |
| InChI | 1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1 |
| InChIKey | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
| SMILES | [o]1c2c(cc3c(c2)O[C@@H](C3)C(O)(C)C)cc[c]1=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
| Hazardous Substances Data | 13849-08-6(Hazardous Substances Data) |