498-95-3
| Name | Nipecotic acid |
| CAS | 498-95-3 |
| EINECS(EC#) | 207-873-9 |
| Molecular Formula | C6H11NO2 |
| MDL Number | MFCD00005992 |
| Molecular Weight | 129.16 |
| MOL File | 498-95-3.mol |
Chemical Properties
| Appearance | off-white to pale yellow-beige powder |
| Melting point | 261 °C (dec.) (lit.) |
| Boiling point | 239.22°C (rough estimate) |
| density | 1.1426 (rough estimate) |
| refractive index | 1.4587 (estimate) |
| storage temp. | Store at 0-5°C |
| solubility | water: soluble50mg/mL, clear, colorless to faintly yellow |
| form | Solid |
| pka | pK1:3.35(+1);pK2:10.64(0) (25°C) |
| color | White |
| Water Solubility | Soluble in water |
| Merck | 14,6561 |
| BRN | 81096 |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) |
| InChIKey | XJLSEXAGTJCILF-UHFFFAOYSA-N |
| SMILES | N1CCCC(C(O)=O)C1 |
| CAS DataBase Reference | 498-95-3(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | TM6125380 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29333990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
