ANISATIN
- Product NameANISATIN
- CAS5230-87-5
- CBNumberCB7366107
- MFC15H20O8
- MW328.31
- MDL NumberMFCD34574548
- MOL File5230-87-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 227-228℃ |
| Boiling point | 609.5±55.0 °C(Predicted) |
| Density | 1.63±0.1 g/cm3 (20 ºC 760 Torr) |
| storage temp. | -20°C |
| pka | 12.01±0.70(Predicted) |
| form | Solid |
| color | White to off-white |
| Major Application | food and beverages |
| InChI | 1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1 |
| InChIKey | GEVWHIDSUOMVRI-QWNPAUMXSA-N |
| SMILES | O1[C@H]2[C@@]([C@]3([C@@]4([C@@]([C@@H](C[C@H]4O)C)([C@H](C1=O)O)C2)O)COC3=O)(O)C |
| LogP | -0.930 (est) |
| FDA UNII | W9K8802FZL |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H300+H330 |
| Precautionary statements | P301+P310+P330-P304+P340+P310 |
| Hazard Codes | T+ |
| Risk Statements | 26/28 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2811 6.1 / PGII |
| WGK Germany | 3 |
| RTECS | WH1314700 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 2 Oral |
| Toxicity | LDLo orl-mus: 1 mg/kg CPBTAL 44,1908,1996 |