88337-96-6
| Name | 15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE |
| CAS | 88337-96-6 |
| EINECS(EC#) | 621-572-3 |
| Molecular Formula | C17H22O7 |
| MDL Number | MFCD00083218 |
| Molecular Weight | 338.35 |
| MOL File | 88337-96-6.mol |
Chemical Properties
| Boiling point | 538.6±50.0 °C(Predicted) |
| density | 1.42±0.1 g/cm3(Predicted) |
| Fp | 2 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform: soluble; Ethanol: soluble |
| form | neat |
| pka | 11.83±0.70(Predicted) |
| color | White to off-white |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | 1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 |
| InChIKey | IDGRYIRJIFKTAN-HTJQZXIKSA-N |
| SMILES | [H][C@]12O[C@]3([H])[C@H](O)C[C@@](C)([C@]34CO4)[C@@]1(COC(C)=O)[C@H](O)C(=O)C(C)=C2 |
| LogP | -0.400 (est) |
Safety Data
| Hazard Codes | T,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | YD0155000 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| HS Code | 29329990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |