2-(2-Methyl-2-propanyl)phenol

Basic Information

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CAS Number

88-18-6

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−7 °C

Boiling Point

221°C

Density

0.978 g/mL at 25 °C

Water Solubility

0.23 g/100 mL (20 ºC)

Solubility

0.97g/l soluble

Refractive Index

n20/D 1.523(lit.)

Vapor Pressure

0.05 mmHg ( 20 °C)

SMILES

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CC(C)(C)c1ccccc1O

InChI

InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3

InChIKey

WJQOZHYUIDYNHM-UHFFFAOYSA-N

LogP

2.6897000000000015

pKa

10.62(at 25℃)

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

123

Safety Information

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GHS Hazard Pictograms

H302

H311

H314

H330

H400

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

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

H330 Fatal if inhaled
Acute toxicity, inhalation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 8 Class 8

Synonyms & References

English

2-tert-Butyl-1-hydroxybenzene
Butylphenol
O-TERT-BUTYL-PHENOL
2-tert-Butylphenol
2-tert-Butylphenolneat
2-t-BuC6H4OH
2-t-Butylphenol
2-tert-Butyl phen01
o-reft-Butyl phenol
ortho-tert-butylphenol
OTBP
O-T-BUTYLPHENOL
o-tert-butyl-pheno
o-tert-butylphenol
Phenol,o-tert-butyl- (8CI)
2-(1,1-Dimethylethyl)phenol
o-t-Butylphenol
o-tert-Butylphenol
2-(1,1-Dimethylethyl)phenol (ACI)
Phenol, o-tert-butyl- (8CI)

MDL Number

MFCD00002223

Customs Code

29071900

FAQ

What are the physical and chemical properties of 2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6)?

2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6) is a colorless to white crystalline solid with a molecular weight of approximately 144.22 g/mol. It has a slight phenolic odor and is slightly soluble in water. It is reactive towards bases and oxidizing agents. The compound is stable under normal storage conditions but should be protected from strong acids and heat.

How is 2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6) typically synthesized?

2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6) is typically synthesized via the Friedel-Crafts alkylation of phenol with 2-methylpropene. This process usually employs aluminum chloride as a catalyst. The reaction is selective and yields the desired product with high efficiency.

What industries use 2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6)?

2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6) is used in various industries. It is a crucial intermediate in the production of pharmaceuticals, where it is used as a precursor for synthesizing antifungal agents. It is also utilized in the manufacturing of polymers and sensors due to its chemical reactivity and stability under specific conditions.

What precautions should be taken when handling 2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6)?

When handling 2-(2-Methyl-2-propanyl)phenol (CAS: 88-18-6), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a well-ventilated area away from strong acids and heat sources. If a spill occurs, it should be cleaned up using appropriate spill kits. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.