4-Acetoxybenzoic acid
- Product Name4-Acetoxybenzoic acid
- CAS2345-34-8
- MFC9H8O4
- MW180.16
- EINECS219-066-9
- MOL File2345-34-8.mol
Chemical Properties
| Melting point | 190-194 °C (lit.) |
| Boiling point | 272.96°C (rough estimate) |
| Density | 1.2933 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | almost transparency in Methanol |
| form | powder to crystal |
| pka | pK1: 4.38 (25°C) |
| color | White to Almost white |
| BRN | 1871997 |
| InChI | 1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | GDBUZIKSJGRBJP-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 2345-34-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-(acetyloxy)-(2345-34-8) |
| EPA Substance Registry System | Benzoic acid, 4-(acetyloxy)- (2345-34-8) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
