2,3,6-trimethylphenol
2,3,6-trimethylphenol
CAS: 2416-94-6
Molecular Formula: C9H12O
2,3,6-trimethylphenol - Names and Identifiers
| Name | 2,3,6-trimethylphenol |
| Synonyms | FEMA 3963 Trimethylphenol 2,3,6-Trimethylpenol 3-HYDROXYPSEUDOCUMENE 2,3,6-TRIMETHYLPHENOL 2,3,6-trimethylphenol 2,3,6-trimethyl-pheno Phenol,2,3,6-trimethyl- 1-Hydroxy-2,3,6-trimethylbenzene |
| CAS | 2416-94-6 |
| EINECS | 219-330-3 |
| InChI | InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 |
| InChIKey | QQOMQLYQAXGHSU-UHFFFAOYSA-N |
2,3,6-trimethylphenol - Physico-chemical Properties
| Molecular Formula | C9H12O |
| Molar Mass | 136.19 |
| Density | 0.940 |
| Melting Point | 59-62°C(lit.) |
| Boling Point | 215°C |
| Flash Point | 100 |
| JECFA Number | 737 |
| Water Solubility | 1.42g/L at 25℃ |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 0.0661mmHg at 25°C |
| Appearance | White or bright yellow solid |
| Color | White to Orange to Green |
| pKa | 10.77±0.15(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5115 (estimate) |
| MDL | MFCD00002229 |
| Physical and Chemical Properties | White or pale yellow solid. |
| Use | Used as raw material for synthesis of vitamin E Main Ring 2,3, 5-trimethylhydroquinone |
2,3,6-trimethylphenol - Risk and Safety
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R43 - May cause sensitization by skin contact R38 - Irritating to the skin |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 2430 8/PG 3 |
| WGK Germany | 1 |
| TSCA | Yes |
| Hazard Class | 8 |
| Packing Group | III |
2,3,6-trimethylphenol - Reference Information
| FEMA | 3963 | 2,3,6-TRIMETHYLPHENOL |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | synthesis of vitamin e intermediate 2,3, 5-trimethylbenzoquinone. Used as a raw material for the synthesis of vitamin E main ring 2,3, 5-trimethylhydroquinone |
| Production method | It is prepared by reacting diethyl ketone with 1-aminovinyl methyl ketone. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:11:58
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