4-tert-Butylbenzoic acid
- Product Name4-tert-Butylbenzoic acid
- CAS98-73-7
- MFC11H14O2
- MW178.23
- EINECS202-696-3
- MOL File98-73-7.mol
Chemical Properties
| Melting point | 162-165 °C(lit.) |
| Boiling point | 280°C |
| Density | 1.045 g/cm3 (30°C) |
| bulk density | 340kg/m3 |
| vapor pressure | <0.01 hPa (20 °C) |
| refractive index | 1.5201 (estimate) |
| Flash point | 180 °C |
| storage temp. | Store below +30°C. |
| solubility | 12.6g/l |
| pka | 4.38(at 25℃) |
| form | Solid |
| color | White to Off-White |
| PH | 3.9 (H2O, 20℃)(saturated solution) |
| Water Solubility | 0.07 g/L (20 ºC) |
| BRN | 607545 |
| Henry's Law Constant | 3.5×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Cosmetics Ingredients Functions | PERFUMING FRAGRANCE |
| InChI | 1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) |
Safety Information
| Hazard Codes | Xn,N,T |
| Risk Statements | 20/22-62-51/53-48/20/21/22-24 |
| Safety Statements | 22-24/25-61-45-36/37/39-28A |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DG4708000 |
| Autoignition Temperature | >510 °C |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29163900 |
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Repr. 1B STOT RE 1 |
| Hazardous Substances Data | 98-73-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 473 - 735 mg/kg |
