2-Methylhippuric acid
- Product Name2-Methylhippuric acid
- CAS42013-20-7
- CBNumberCB2292139
- MFC10H11NO3
- MW193.2
- EINECS255-622-7
- MDL NumberMFCD00050991
- MOL File42013-20-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 161-164 °C (lit.) |
| Boiling point | 329.41°C (rough estimate) |
| Density | 1.2307 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.71±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | 1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
| InChIKey | YOEBAVRJHRCKRE-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1C(=O)NCC(O)=O |
| CAS DataBase Reference | 42013-20-7(CAS DataBase Reference) |
| FDA UNII | J043BCI40Z |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 37/39-26 |
| WGK Germany | 3 |
| HS Code | 2924297099 |
| Storage Class | 11 - Combustible Solids |
