Ethyl β-D-glucuronide
- Product NameEthyl β-D-glucuronide
- CAS17685-04-0
- MFC8H14O7
- MW222.19
- EINECS200-659-6
- MOL File17685-04-0.mol
Chemical Properties
| Melting point | 160-161°C |
| Boiling point | 460.0±45.0 °C(Predicted) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| Flash point | 9℃ |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Methanol (Sparingly), Water (Slightly) |
| pka | 2.84±0.70(Predicted) |
| form | Solid |
| color | White to Light Beige |
| Stability | Very Hygroscopic |
| Major Application | forensics and toxicology |
| InChI | InChI=1/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/s3 |
| InChIKey | IWJBVMJWSPZNJH-UJTYWHTDNA-N |
| SMILES | [C@@H]1(C(O)=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](OCC)O1 |&1:0,4,6,8,10,r| |
| CAS DataBase Reference | 17685-04-0 |
| EPA Substance Registry System | .beta.-D-Glucopyranosiduronic acid, ethyl (17685-04-0) |
Safety Information
| Hazard Codes | F,T |
| Risk Statements | 11-23/24/25-39/23/24/25 |
| Safety Statements | 7-16-36/37-45 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| HS Code | 38220090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
