4-(2-Methyl-2-butanyl)phenol

Basic Information

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CAS Number

80-46-6

Molecular Formula

C11H16O

Molecular Weight

164.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

88-89 °C

Boiling Point

255 °C

Density

0,96 g/cm3

Water Solubility

37 mg/L (20 ºC)

Flash Point

111 ºC

Solubility

H2O: insoluble

Refractive Index

1.5061 (estimate)

SMILES

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CCC(C)(C)c1ccc(O)cc1

InChI

InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3

InChIKey

NRZWYNLTFLDQQX-UHFFFAOYSA-N

LogP

3.0798000000000014

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

132

Safety Information

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Hazard Statement

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

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents.

Toxicity

LD50 orally in rats: 3.08 g/kg (Smyth)

Synonyms & References

English

4-tert-Amylphenol
PTAP
p-tert-pentylphenol
p-t-Amylphenol
P-(1,1-dimethylpropyl)phenol
4-t-Pentylphenol
4-tert-Pentylphenol
4-(2-methylbutan-2-yl)phenol
4-tert-Amylphenolneat
p-tert-Amylphenol
4-(1,1-Dimethylpropyl)phenol
1-Hydroxy-4(2-methyl-2-butyl)benzene
4-t-Amylphenol
Amilphenol
Amilfenol
Pentaphen
Amyl phenol 4T
Phenol, 4-(1,1-dimethylpropyl)-
Phenol, p-tert-pentyl-
tert-Amylphenol
Ucar amyl phenol 4T
p-t-Pentylphenol
4-(tert-pentyl)phenol
para-tert-Amylphenol
4-(1,1-Dimethylpropyl)-1-phenol
Caswell No. 050
2-Methyl-2-p-hydroxyphenylbutane
1-Hydroxy-4-(1,1-dimethylpropyl
p-(1,1-Dimethylpropyl)phenol

MDL Number

MFCD00002369

Customs Code

2907199090

FAQ

What is 4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6)?

4-(2-Methyl-2-butanyl)phenol, with CAS number 80-46-6, is an organic compound that belongs to the class of phenolic derivatives. It has the chemical formula C10H14O and is characterized by its aromatic ring structure with a branched alkyl group attached. This compound is known for its mild odor and is commonly used in various chemical applications due to its functional properties.

What are the main uses of 4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6)?

4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6) is primarily used in the pharmaceutical industry as a component in some drug formulations. It also finds applications in the fragrance and flavor industry, serving as a synthetic intermediate. Additionally, it is used in research for the development of new materials and chemical compounds due to its reactivity and structural versatility.

Is 4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6) safe?

4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6) is generally considered safe when handled properly. However, it may cause skin and eye irritation, so protective measures such as gloves and safety goggles are recommended. Safety standards require proper ventilation and adherence to OSHA guidelines to ensure safe use in industrial and laboratory settings.

How should 4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6) be stored?

4-(2-Methyl-2-butanyl)phenol (CAS: 80-46-6) should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and a humidity level below 60% to ensure stability and prolong shelf life.