2,3,6-Trimethylphenol

Basic Information

View in Editor

CAS Number

2416-94-6

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

62.0 to 66.0 deg-C

Boiling Point

120°C/11mmHg

Flash Point

100

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.5115 (estimate)

SMILES

View in Editor

Cc1ccc(C)c(O)c1C

InChI

InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3

InChIKey

QQOMQLYQAXGHSU-UHFFFAOYSA-N

LogP

2.3174600000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

111

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

2,3,6-Trimethylphenol
2,3,6-Trimethylphenolneat
1-Hydroxy-2,3,6-trimethylbenzene
2,3,6-tri-methylphenol
3-Hydroxypseudocumene
DSSTox_CID_2187
EINECS 219-330-3
Phenol,2,3,6-trimethyl
NSC 91509
Phenol, 2,3,6-trimethyl-
2,3,6-trimethyl-phenol
2,3,6-TRIMETHYL PHENOL
fema 3963
05WKL2L5LJ
QQOMQLYQAXGHSU-UHFFFAOYSA-N
DSSTox_RID_76518
DSSTox_GSID_22187
NSC91509
trimethylphenol,95%
PubChem24006
2,5,6-trimethylphenol
2,3,6-trimethyl-pheno
phenol,2,3,6-trimethyl-
KSC49

MDL Number

MFCD00002229

Customs Code

2907199090

FAQ

What is 2,3,6-Trimethylphenol (CAS: 2416-94-6)?

2,3,6-Trimethylphenol, also known as 2,3,6-Tri-tert-butylphenol, is a phenolic compound with the molecular formula C13H18O. It is a colorless to pale yellow, viscous liquid with a distinctive odor. It is used as a stabilizer in polymers and as a protective agent against oxidative degradation.

What are the main uses of 2,3,6-Trimethylphenol (CAS: 2416-94-6)?

2,3,6-Trimethylphenol is primarily used as a stabilizer in the polymer industry, particularly in polyurethane and polyvinyl chloride (PVC) applications. It enhances the oxidative stability of these materials, preventing degradation and extending their shelf life. It is also used in pharmaceuticals as a stabilizer and antioxidant.

Is 2,3,6-Trimethylphenol (CAS: 2416-94-6) safe?

2,3,6-Trimethylphenol is generally considered safe for the intended uses, but it can be toxic if ingested or inhaled. Proper handling and protective measures, such as wearing gloves and goggles, are necessary. Exposure to high concentrations should be avoided. It is classified as a flammable liquid, and appropriate safety standards should be followed.

How should 2,3,6-Trimethylphenol (CAS: 2416-94-6) be stored?

2,3,6-Trimethylphenol should be stored in a cool, dry place, away from direct sunlight and heat sources. The storage temperature should not exceed 25°C. It should be kept in a tightly sealed container, preferably made of glass or corrosion-resistant plastic. Avoid contact with incompatible materials such as strong acids or oxidizing agents. Keep the container tightly closed during storage to prevent evaporation and contamination.