4-Isobutylbenzoic acid
- Product Name4-Isobutylbenzoic acid
- CAS38861-88-0
- MFC11H14O2
- MW178.23
- EINECS
- MOL File38861-88-0.mol
Chemical Properties
| Melting point | 144°C |
| Boiling point | 293.1±19.0 °C(Predicted) |
| Density | 1.059±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.32±0.10(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical |
| InChI | InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13) |
| InChIKey | VUBBCFWWSKOHTH-UHFFFAOYSA-N |
| SMILES | C1C=C(C(=O)O)C=CC=1CC(C)C |
| CAS DataBase Reference | 38861-88-0(CAS DataBase Reference) |
Safety Information
| WGK Germany | WGK 3 |
| RTECS | DH3073800 |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 |
