2812-46-6
| Name | H-PRO-OTBU |
| CAS | 2812-46-6 |
| EINECS(EC#) | 220-558-0 |
| Molecular Formula | C9H17NO2 |
| MDL Number | MFCD00037879 |
| Molecular Weight | 171.24 |
| MOL File | 2812-46-6.mol |
Chemical Properties
| Appearance | Oil |
| Melting point | 98-103°C |
| Boiling point | 219.2±33.0 °C(Predicted) |
| density | 0.995±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 8.32±0.10(Predicted) |
| color | Colorless to pale yellow |
| Optical Rotation | Consistent with structure |
| InChI | InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey | XJJBXZIKXFOMLP-ZETCQYMHSA-N |
| SMILES | C(OC(C)(C)C)(=O)[C@@H]1CCCN1 |
| CAS DataBase Reference | 2812-46-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H315-H318-H335 |
| Precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 2933998090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |