2,3,6-trimethyl phenol
2,3,6-trimethylphenol
Identification
| Name | 2,3,6-trimethyl phenol |
| IUPAC | 2,3,6-trimethylphenol |
| CAS Number | 2416-94-6 |
| EINECS | 219-330-3 |
| FDA UNII | 05WKL2L5LJ |
| Molecular Formula | C9 H12 O |
| Molecular Weight | 136.19384000 |
| MDL Number | MFCD00002229 |
| Nikkaji Number | J116.743J |
| Beilstein | 2042207 |
Regulatory
| JECFA Food Flavoring | 737 2,3,6-trimethylphenol |
| DG SANTE Food Flavourings | 04.085 2,3,6-trimethylphenol |
| DG SANTE Food Contact Materials | 2,3,6-trimethylphenol |
| FEMA Number | 3963 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2416-94-6 ; 2,3,6-TRIMETHYLPHENOL |
Physical Properties
| Appearance | white to pale yellow crystalline solid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 63.00 to 64.00 °C. @ 760.00 mm Hg |
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.066000 mmHg @ 25.00 °C. (est) |
| Flash Point | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w) | 2.670 |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/day) |
| baked goods | 1.00000 |
| beverages(nonalcoholic) | 0.02000 |
| beverages(alcoholic) | 0.10000 |
| breakfast cereal | 0.02000 |
| cheese | 0.04000 |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | 0.10000 |
| fats / oils | 0.10000 |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | 0.20000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.02000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.10000 |
| snack foods | 0.20000 |
| soft candy | - |
| soups | 0.02000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
1-
hydroxy-2,3,6-trimethyl benzene
1-
hydroxy-2,3,6-trimethylbenzene
3-
hydroxypseudocumene
phenol, 2,3,6-trimethyl-
2,3,6-
trimethylphenol
Google Patents:
Production of 2,3,6-trimethylphenol
PubMed:
Me3(OMe)tBuXPhos: a surrogate ligand for Me4tBuXPhos in palladium-catalyzed C-N and C-O bond-forming reactions.
PubMed:
Hierarchical mesoporous TS-1 zeolite: a highly active and extraordinarily stable catalyst for the selective oxidation of 2,3,6-trimethylphenol.
PubMed:
Magnetic and catalytic properties of copper ferrite nanopowders prepared by combustion process.
PubMed:
Zr(IV)-monosubstituted Keggin-type dimeric polyoxometalates: synthesis, characterization, catalysis of H2O2-based oxidations, and theoretical study.
PubMed:
FTIR spectroscopic study of titanium-containing mesoporous silicate materials.
PubMed:
Synthesis, characterization, and reactivity of Ti(IV)-monosubstituted Keggin polyoxometalates.
PubMed:
Aerobic oxidation of 2,3,6-trimethylphenol to trimethyl-1,4-benzoquinone with copper(II) chloride as catalyst in ionic liquid and structure of the active species.
PubMed:
First isolated active titanium peroxo complex: characterization and theoretical study.
PubMed:
Synthesis and anti lipid-peroxidation activity of hydroquinone monoalkyl ethers.
PubMed:
Suppression of intestinal smooth muscle contraction by phenolic compounds.
PubMed:
Bacterial metabolism of 2,6-xylenol.