| Identification | More | [Name]
2,3,6-Trimethylphenol | [CAS]
2416-94-6 | [Synonyms]
2,3,6-TRIMETHYLPHENOL
3-HYDROXYPSEUDOCUMENE
FEMA 3963
1-Hydroxy-2,3,6-trimethylbenzene
2,3,6-trimethyl-pheno
Phenol,2,3,6-trimethyl-
Trimethylphenol,95%
2 3 6-TRIMETHYLPHENOL 97+%
2,3,6-TRIMETHYLPHENOL 95+% | [EINECS(EC#)]
219-330-3 | [Molecular Formula]
C9H12O | [MDL Number]
MFCD00002229 | [Molecular Weight]
136.19 | [MOL File]
2416-94-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
59-62 °C(lit.)
| [Boiling point ]
215°C | [density ]
0.940 | [FEMA ]
3963 | [refractive index ]
1.5115 (estimate) | [Fp ]
100 | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
methanol: 0.1 g/mL, clear
| [form ]
powder to crystal | [pka]
10.77±0.15(Predicted) | [color ]
White to Orange to Green | [Odor]
char. antiseptic odor | [Water Solubility ]
1.42g/L at 25℃ | [JECFA Number]
737 | [Henry's Law Constant]
2.5×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 | [InChIKey]
QQOMQLYQAXGHSU-UHFFFAOYSA-N | [SMILES]
Cc1ccc(C)c(O)c1C | [LogP]
2.80 | [CAS DataBase Reference]
2416-94-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Phenol, 2,3,6-trimethyl-(2416-94-6) | [EPA Substance Registry System]
2416-94-6(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
White or light yellow solid | [Uses]
2,3,6-Trimethylphenol is used as intermediate for synthetic vitamin E. It is used for manufacturing 2, 3, 5-Trimethylhydroquinone. It is used as intermediate for antioxidants and plastics. It is used as a comonomer for the modification of polyphenylene oxide resins. | [Definition]
ChEBI: 2,3,6-Trimethylphenol is a hydroxytoluene. | [Production Methods]
2,3,6-Trimethylphenol is produced selectively by gas phase methylation of m-cresol with methanol at 300–460 ℃ under normal pressure on ortho-selective metal oxide catalysts, as used for the selective methylation of phenol. The reaction occurs in multitube reactors with a fixed catalyst. The reaction temperature to be maintained depends on the catalyst used in each case. Iron oxide catalysts modified with oxides of other metals (e.g., Zn, Cr and Sn, or Mg and Si) are particularly suitable for the process.
| [Aroma threshold values]
Aroma characteristics at 1.0%: sharp smoky phenolic, latakia tobaccolike, tarlike, spicy eugenol and
slightly cooling. | [Taste threshold values]
Taste characteristics at 5 ppm: phenolic, tobaccolike, tarry, medicinal with burnt and woody nuances. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 37, p. 2340, 1972 DOI: 10.1021/jo00979a029 | [Flammability and Explosibility]
Nonflammable |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,3,6-Trimethylphenol(2416-94-6)MS
2,3,6-Trimethylphenol(2416-94-6)1HNMR
2,3,6-Trimethylphenol(2416-94-6)13CNMR
2,3,6-Trimethylphenol(2416-94-6)IR1
2,3,6-Trimethylphenol(2416-94-6)IR2
2,3,6-Trimethylphenol(2416-94-6)Raman
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
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