2,4-Diethyl-9H-thioxanthen-9-one
- Product Name2,4-Diethyl-9H-thioxanthen-9-one
- CAS82799-44-8
- CBNumberCB7104187
- MFC17H16OS
- MW268.37
- EINECS280-041-0
- MDL NumberMFCD00082910
- MOL File82799-44-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 66-70 °C (lit.) |
| Boiling point | 427.9±45.0 °C(Predicted) |
| Density | 1.178±0.06 g/cm3(Predicted) |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | powder to crystal |
| color | Light yellow to Yellow to Orange |
| Water Solubility | 8μg/L at 25℃ |
| InChI | InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3 |
| InChIKey | BTJPUDCSZVCXFQ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)SC2=C1C=C(CC)C=C2CC |
| LogP | 6.5 at 20℃ |
| CAS DataBase Reference | 82799-44-8(CAS DataBase Reference) |
| FDA UNII | U5V0PD7FHZ |
| EPA Substance Registry System | 9H-Thioxanthen-9-one, 2,4-diethyl- (82799-44-8) |
Safety
| Symbol(GHS) |
   
|
| Signal word | Warning |
| Hazard statements | H222-H229-H304-H315-H319-H336-H361-H410 |
| Precautionary statements | P201-P202-P211-P251-P261-P264b-P271-P280i-P301+P310-P302+P352-P304+P340-P305+P351+P338-P308+P313-P331-P332+P313-P362+P364-P403+P233-P410+P412-P501c |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| HS Code | 29349990 |
