2,5-Dimethylbenzenesulfonic acid dihydrate
- Product Name2,5-Dimethylbenzenesulfonic acid dihydrate
- CAS609-54-1
- CBNumberCB0338729
- MFC8H10O3S
- MW186.23
- EINECS210-193-5
- MDL NumberMFCD00064858
- MOL File609-54-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 86°C |
| Boiling point | 290.72°C (rough estimate) |
| Density | 1.3286 (rough estimate) |
| refractive index | 1.5081 (estimate) |
| storage temp. | 2-8°C |
| Water Solubility | Soluble in water |
| form | powder to crystal |
| pka | -0.47±0.30(Predicted) |
| color | White to Light yellow to Light red |
| Sensitive | Hygroscopic |
| InChI | InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11) |
| InChIKey | IRLYGRLEBKCYPY-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=CC(C)=CC=C1C |
| CAS DataBase Reference | 609-54-1(CAS DataBase Reference) |
| FDA UNII | L1SEA5QNP9 |
| EPA Substance Registry System | Benzenesulfonic acid, 2,5-dimethyl- (609-54-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/38 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2904.10.3700 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 | |||||||||
| NFPA 704: |
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