3-(4-Methylphenyl)propionic acid
- Product Name3-(4-Methylphenyl)propionic acid
- CAS1505-50-6
- CBNumberCB7705113
- MFC10H12O2
- MW164.2
- EINECS216-132-9
- MDL NumberMFCD00016561
- MOL File1505-50-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 115-118 °C (lit.) |
| Boiling point | 290.6±9.0 °C(Predicted) |
| Density | 1.097±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in methanol. |
| form | Crystalline Powder |
| pka | pK1:4.684 (25°C) |
| color | White to yellow or pale orange |
| BRN | 2046164 |
| InChI | 1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | LDYGRLNSOKABMM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CCC(O)=O)cc1 |
| CAS DataBase Reference | 1505-50-6(CAS DataBase Reference) |
| FDA UNII | BG327JNM0V |
| NIST Chemistry Reference | P-methylhydrocinnamic acid(1505-50-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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