2,3,6-trimethyl phenol

2,3,6-trimethylphenol

CAS: 2416-94-6 C9 H12 O MW: 136.19384000

Identification

Name2,3,6-trimethyl phenol
IUPAC2,3,6-trimethylphenol
CAS Number2416-94-6
EINECS219-330-3
FDA UNII05WKL2L5LJ
Molecular FormulaC9 H12 O
Molecular Weight136.19384000
MDL NumberMFCD00002229
Nikkaji NumberJ116.743J
Beilstein2042207

Regulatory

JECFA Food Flavoring737 2,3,6-trimethylphenol
DG SANTE Food Flavourings04.085 2,3,6-trimethylphenol
DG SANTE Food Contact Materials2,3,6-trimethylphenol
FEMA Number3963
FDANo 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

CosIngcosmetic data
Cosmetic Usesperfuming agents

No sensory data available

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
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 goods1.00000
beverages(nonalcoholic)0.02000
beverages(alcoholic)0.10000
breakfast cereal0.02000
cheese0.04000
chewing gum-
condiments / relishes-
confectionery froastings-
egg products0.10000
fats / oils0.10000
fish products-
frozen dairy0.10000
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.10000
hard candy0.20000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.10000
milk products0.02000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.10000
snack foods0.20000
soft candy-
soups0.02000
sugar substitutes-
sweet sauces-

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Potential Uses

None Found

Natural Occurrence

coffee PMC

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.