(S)-(+)-2-Phenylbutyric acid
- Product Name(S)-(+)-2-Phenylbutyric acid
- CAS4286-15-1
- CBNumberCB3438815
- MFC10H12O2
- MW164.2
- MDL NumberMFCD00063164
- MOL File4286-15-1.mol
- MSDS FileSDS
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 |
| FDA UNII | 56PGV95391 |
| UNSPSC Code | 12352002 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H302 | |||||||||
| Precautionary statements | P280a-P301+P312a-P305+P351+P338-P321-P332+P313-P501a | |||||||||
| 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 | |||||||||
| NFPA 704: |
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