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 |
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 |
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 |
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) |