4-Butylbenzoic acid
- Product Name4-Butylbenzoic acid
- CAS20651-71-2
- MFC11H14O2
- MW178.23
- EINECS243-940-9
- MOL File20651-71-2.mol
Chemical Properties
| Melting point | 100-113 °C (lit.) |
| Boiling point | 304.71°C (estimate) |
| Density | 1.0435 (estimate) |
| refractive index | 1.5201 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.36±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | 148.2mg/L(temperature not stated) |
| BRN | 2044046 |
| InChI | 1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13) |
| InChIKey | JFKUBRAOUZEZSL-UHFFFAOYSA-N |
| SMILES | CCCCc1ccc(cc1)C(O)=O |
| LogP | 3.970 |
| CAS DataBase Reference | 20651-71-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Butylbenzoic acid(20651-71-2) |
| EPA Substance Registry System | Benzoic acid, 4-butyl- (20651-71-2) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29163990 |
| Storage Class | 13 - Non Combustible Solids |
