5-Phenylvaleric acid
- Product Name5-Phenylvaleric acid
- CAS2270-20-4
- CBNumberCB7109829
- MFC11H14O2
- MW178.23
- EINECS218-872-8
- MDL NumberMFCD00004416
- MOL File2270-20-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 58-60 °C (lit.) |
| Boiling point | 177-178 °C/13 mmHg (lit.) |
| Density | 1.0292 (rough estimate) |
| refractive index | 1.4920 (estimate) |
| Flash point | 176-178°C/12mm |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pKa 4.59 ± 0.02(H2O,t =25±0.5,I=0.015(KCl)) (Uncertain) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | 1.777g/L(30 ºC) |
| BRN | 2049062 |
| InChI | InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) |
| InChIKey | BYHDDXPKOZIZRV-UHFFFAOYSA-N |
| SMILES | C1(CCCCC(O)=O)=CC=CC=C1 |
| CAS DataBase Reference | 2270-20-4(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | XYJ5U8LCQ8 |
| NIST Chemistry Reference | 5-Phenylvaleric acid(2270-20-4) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| Hazard Codes | Xi |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| RTECS | YV7816000 |
| Hazard Note | Irritant |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
