3-Acetyldeoxynivalenol
Bezeichnung:3-Acetyldeoxynivalenol
CAS-Nr50722-38-8
Englisch Name:3-Acetyldeoxynivalenol
CBNumberCB0403476
SummenformelC17H22O7
Molgewicht338.35
MOL-Datei50722-38-8.mol
3-Acetyldeoxynivalenol physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 185.75°C |
| Siedepunkt | 394.5°C (rough estimate) |
| Dichte | 1.2179 (rough estimate) |
| Brechungsindex | 1.4790 (estimate) |
| Flammpunkt | 2 °C |
| storage temp. | -20°C |
| Löslichkeit | DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml |
| pka | 11.84±0.70(Predicted) |
| Aggregatzustand | powder |
| Biologische Quelle | Fusarium roseum |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | 1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 |
| InChIKey | ADFIQZBYNGPCGY-HTJQZXIKSA-N |
| SMILES | CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(=O)[C@@H](O)[C@]24CO |
| LogP | -0.448 (est) |
| Kennzeichnung gefährlicher | T,Xn,F |
| R-Sätze: | 23/24/25-36-20/21/22-11 |
| S-Sätze: | 36/37-45-26-16 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS-Nr. | YD0150000 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| HS Code | 29329990 |
| Speicherklasse | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
