2,4,6-Trimethylphenol

Basic Information

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CAS Number

527-60-6

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

70-72 °C <br />71-74 °C

Boiling Point

220 °C

Refractive Index

1.5148 (estimate)

SMILES

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Cc1cc(C)c(O)c(C)c1

InChI

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

InChIKey

BPRYUXCVCCNUFE-UHFFFAOYSA-N

LogP

2.3174600000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.3

Safety Information

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Hazard Statement

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

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 8 Class 8

Synonyms & References

English

2,4,6-Trimethylphenol
Mesitol
2,3,4-Trimethylphenol
2,4,6-Trimethylphenolneat
1,3,5-Trimethylphenol
2,3-DIMETHOXYPHENETHYL ISOCYANATE
2,4,6-Trimethyl-phenol
2,4,6-Trimetylofenol [Polish]
2-Hydroxymesitylene
Hydroxymesitylene
Mesityl alcohol
Phenol,2,4,6-trimethyl
1-Hydroxy-2,4,6-trimethylbenzene
Phenol, 2,4,6-trimethyl-
2,4,6-Trimetylofenol
2,4,6-Trimethylofenol
2,4,6-Trimethylofenol [Polish]
2,4,6-trimethyl phenol
Benzene, 2-hydroxy-1,3,5-trimethyl-
BPRYUXCVCCNUFE-UHFFFAOYSA-N
FPZ32614N6
2,6-Trimethylphenol
Phenol,4,6-trimethyl-
B

MDL Number

MFCD00002235

Customs Code

2907199090

FAQ

What are the physical and chemical properties of 2,4,6-Trimethylphenol (CAS: 527-60-6)?

2,4,6-Trimethylphenol (CAS: 527-60-6) is a white crystalline solid with a molecular weight of approximately 134.21 g/mol. It has a melting point of about 75°C and is poorly soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly in esterification and amidation reactions.

How is 2,4,6-Trimethylphenol (CAS: 527-60-6) typically synthesized?

2,4,6-Trimethylphenol can be synthesized via the Kolbe-Schmitt reaction, where phenol reacts with methyl chlorides in the presence of a strong base like sodium hydroxide. Another method involves the reduction of 2,4,6-trimethylbenzoyl chloride with lithium aluminum hydride. These processes yield high yields and good selectivity.

What industries use 2,4,6-Trimethylphenol (CAS: 527-60-6)?

2,4,6-Trimethylphenol (CAS: 527-60-6) finds use in a variety of industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly as a precursor for antifungal agents. It also plays a role in the production of polymer additives, sensors, and as a component in some semiconductor materials.

What precautions should be taken when handling 2,4,6-Trimethylphenol (CAS: 527-60-6)?

When handling 2,4,6-Trimethylphenol (CAS: 527-60-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, well-ventilated area away from sources of heat and ignition. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, contact a professional hazmat team and refer to the Safety Data Sheet (SDS) for specific guidelines.