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| 2,3,6-Trimethylphenol is an important organic intermediate. It has a wide range of applications. It is used as a monomer for the production of heat-resistant polyphenylene ether engineering plastics and a raw material for plastic alloys. Additionally, it is employed in the production of certain pesticides, disinfectants, and in organic chemical reactions. | |||||||||
2416-94-6
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2416-94-6
2,3,6-Trimethylphenol Basic information | |
Product Name: | 2,3,6-Trimethylphenol |
CAS: | 2416-94-6 |
MF: | C9H12O |
MW: | 136.19 |
EINECS: | 219-330-3 |
Mol File: | 2416-94-6.mol |
2,3,6-Trimethylphenol Chemical Properties | |
Melting point | 59-62 °C(lit.) |
Boiling point | 215°C |
density | 0.94 |
FEMA | 3963 | 2,3,6-TRIMETHYLPHENOL |
refractive index | 1.5115 (estimate) |
Fp | 100 |
storage temp. | Inert atmosphere,Room Temperature |
solubility | methanol: 0.1 g/mL, clear |
pka | 10.77±0.15(Predicted) |
form | powder to crystal |
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 | 2.8 |
CAS DataBase Reference | 2416-94-6(CAS DataBase Reference) |
NIST Chemistry Reference | Phenol, 2,3,6-trimethyl-(2416-94-6) |
EPA Substance Registry System | 2,3,6-Trimethylphenol (2416-94-6) |
