2,4,6-Trimethylbenzoic acid
- Product Name2,4,6-Trimethylbenzoic acid
- CAS480-63-7
- CBNumberCB0473073
- MFC10H12O2
- MW164.2
- EINECS207-553-9
- MDL NumberMFCD00002481
- MOL File480-63-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 152-155 °C (lit.) |
| Boiling point | 288.61°C (estimate) |
| Density | 1.0670 (estimate) |
| refractive index | 1.5198 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chlorform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | pK1:3.448 (25°C) |
| color | White to Off-White |
| Water Solubility | 722.5mg/L(temperature not stated) |
| BRN | 1866187 |
| InChI | 1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12) |
| InChIKey | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(c(C)c1)C(O)=O |
| CAS DataBase Reference | 480-63-7(CAS DataBase Reference) |
| FDA UNII | 4PU2HG6787 |
| NIST Chemistry Reference | Benzoic acid, 2,4,6-trimethyl-(480-63-7) |
| EPA Substance Registry System | 2,4,6-Trimethylbenzoic acid (480-63-7) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P271-P280 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22 | |||||||||
| Safety Statements | 22-24/25-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DI0887010 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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