4-Isopropylbenzoic acid
- Product Name4-Isopropylbenzoic acid
- CAS536-66-3
- MFC10H12O2
- MW164.2
- EINECS208-642-5
- MOL File536-66-3.mol
Chemical Properties
| Melting point | 117-120 °C (lit.) |
| Boiling point | 271.8°C |
| Density | d4 1.162 |
| refractive index | 1.5198 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | alcohol: soluble(lit.) |
| form | Crystalline Powder |
| pka | 4.35±0.10(Predicted) |
| color | White |
| Odor | Very faint, green-woody-spicy odor, resembling sap from wood, yet overall dry |
| Water Solubility | sparingly soluble |
| Merck | 14,2618 |
| InChI | 1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 536-66-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-(1-methylethyl)-(536-66-3) |
| EPA Substance Registry System | 4-Isopropylbenzoic acid (536-66-3) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-36-36/37/39 |
| WGK Germany | 3 |
| RTECS | DH3850500 |
| TSCA | TSCA listed |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
