3-Methylhippuric acid
- Product Name3-Methylhippuric acid
- CAS27115-49-7
- CBNumberCB9427428
- MFC10H11NO3
- MW193.2
- MDL NumberMFCD00044399
- MOL File27115-49-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 138-140 °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) |
| form | Solid |
| pka | 3.71±0.10(Predicted) |
| color | White to Off-White |
| InChI | 1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
| InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1)C(=O)NCC(O)=O |
| CAS DataBase Reference | 27115-49-7(CAS DataBase Reference) |
| FDA UNII | W60W59C1G5 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H317-H319 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29225000 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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