2,4,6-Trimethylphenol
- Product Name2,4,6-Trimethylphenol
- CAS527-60-6
- CBNumberCB3682841
- MFC9H12O
- MW136.19
- EINECS208-419-2
- MDL NumberMFCD00002235
- MOL File527-60-6.mol
Chemical Properties
| Melting point: | 70-72 °C(lit.) |
| Boiling point: | 220 °C(lit.) |
| Density | 0.9809 (estimate) |
| vapor pressure | 3.86Pa at 25℃ |
| refractive index | 1.5148 (estimate) |
| FEMA | 4329 | 2,4,6-TRIMETHYLPHENOL |
| Flash point: | 220-221°C |
| storage temp. | under inert gas (argon) |
| form | Crystalline Needles |
| pka | pK1:10.88 (25°C) |
| color | Beige |
| Odor | at 0.10 % in propylene glycol. mild phenolic coffee grounds |
| Odor Type | phenolic |
| biological source | synthetic |
| Water Solubility | 1.008g/L(25 ºC) |
| JECFA Number | 2013 |
| BRN | 1859675 |
| Henry's Law Constant | 3.8×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | flavors and fragrances |
| InChI | 1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 |
| InChIKey | BPRYUXCVCCNUFE-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(O)c(C)c1 |
| LogP | 2.73 at 25℃ |
| CAS DataBase Reference | 527-60-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2,4,6-trimethyl-(527-60-6) |
| EPA Substance Registry System | 2,4,6-Trimethylphenol (527-60-6) |
Safety
| Symbol(GHS) |
    GHS05,GHS07,GHS08,GHS09 |
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| Signal word | Danger | |||||||||
| Hazard statements | H315-H318-H335-H373-H411 | |||||||||
| Precautionary statements | P260-P273-P280-P302+P352-P305+P351+P338-P314 | |||||||||
| target organs | Respiratory system, Stomach | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | C,N | |||||||||
| Risk Statements | 34-51/53 | |||||||||
| Safety Statements | 26-36/37/39-45-24/25-61 | |||||||||
| RIDADR | UN 2430 8/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | OX6590000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2907199090 | |||||||||
| Storage Class | 8A - Combustible corrosive hazardous materials | |||||||||
| Hazard Classifications |
Aquatic Chronic 2 Eye Dam. 1 Skin Irrit. 2 STOT RE 2 Oral STOT SE 3 |
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| Hazardous Substances Data | 527-60-6(Hazardous Substances Data) | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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