(S)-(+)-2-PHENYLBUTYRIC ACID
- Product Name(S)-(+)-2-PHENYLBUTYRIC ACID
- CAS4286-15-1
- MFC10H12O2
- MW164.2
- EINECS
- MOL File4286-15-1.mol
Chemical Properties
| alpha | [α]D20 +92～+100° (c=1, C6H5CH3) |
| Boiling point | 98-100 °C0.3 mm Hg(lit.) |
| Density | 1.055 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | >230 °F |
| pka | 4.34±0.10(Predicted) |
| optical activity | [α]19/D +92°, c = 0.9 in toluene |
| BRN | 2045208 |
| InChI | 1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1 |
| InChIKey | OFJWFSNDPCAWDK-VIFPVBQESA-N |
| SMILES | CC[C@H](C(O)=O)c1ccccc1 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 23-36-37/39-26 |
| WGK Germany | 3 |
| HS Code | 29163900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral |
