3,4,5-Trimethylphenol
- Product Name3,4,5-Trimethylphenol
- CAS527-54-8
- CBNumberCB4685632
- MFC9H12O
- MW136.19
- EINECS208-418-7
- MDL NumberMFCD00002305
- MOL File527-54-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 94-98 °C |
| Boiling point | 251.8°C |
| Density | 0.9809 (estimate) |
| refractive index | 1.5084 (estimate) |
| pka | pK1:10.25 (25°C) |
| BRN | 1907246 |
| Henry's Law Constant | 3.4×101 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| InChI | 1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3 |
| InChIKey | FDQQNNZKEJIHMS-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)cc(C)c1C |
| LogP | 2.911 (est) |
| FDA UNII | 8S1I71213X |
| EPA Substance Registry System | 3,4,5-Trimethylphenol (527-54-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H314 | |||||||||
| Precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | |||||||||
| Hazard Codes | C | |||||||||
| Risk Statements | 34 | |||||||||
| Safety Statements | 26-28-36/37/39-45 | |||||||||
| RIDADR | UN 2430 8/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| Storage Class | 8A - Combustible corrosive hazardous materials | |||||||||
| Hazard Classifications | Skin Corr. 1B | |||||||||
| NFPA 704: |
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