65322-85-2
| Name | 3-(4-ISOBUTYL-PHENYL)-PROPIONIC ACID |
| CAS | 65322-85-2 |
| Molecular Formula | C13H18O2 |
| MDL Number | MFCD08275589 |
| Molecular Weight | 206.28 |
| MOL File | 65322-85-2.mol |
Chemical Properties
| Boiling point | 327℃ |
| density | 1.033 |
| Fp | 225℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 4.68±0.10(Predicted) |
| color | White to off-white |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15) |
| InChIKey | DYNVRFFVBZVRND-UHFFFAOYSA-N |
| SMILES | OC(=O)CCc1ccc(cc1)CC(C)C |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H319-H335 |
| Precautionary statements | P301+P312+P330-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 STOT SE 3 |