OCHRATOXIN B
- Product NameOCHRATOXIN B
- CAS4825-86-9
- MFC20H19NO6
- MW369.37
- EINECS621-766-8
- MOL File4825-86-9.mol
Chemical Properties
| Melting point | 221° (van der Merwe) |
| alpha | D -35° (c = 0.15 in ethanol) |
| Boiling point | 632.4±55.0 °C(Predicted) |
| Density | 1.361±0.06 g/cm3(Predicted) |
| Flash point | -11 °C |
| storage temp. | 2-8°C |
| solubility | DMF: 10 mg/ml; DMSO: 15 mg/ml; Ethanol: 50 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.50 mg/ml |
| form | A crystalline solid |
| pka | 3.40±0.10(Predicted) |
| color | White to off-white |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | 1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1 |
| InChIKey | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| SMILES | C[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1 |
| EPA Substance Registry System | L-Phenylalanine, N-[[(3R)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]- (4825-86-9) |
Safety Information
| Hazard Codes | Xn,T,F |
| Risk Statements | 22-36/37/38-65-48/23/24/25-36/38-11-46-45-36-20/21/22 |
| Safety Statements | 26-36-45-16-53-36/37-62 |
| RIDADR | UN 3462 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AY6825000 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| HS Code | 39229000 |
| 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 |
| Hazardous Substances Data | 4825-86-9(Hazardous Substances Data) |