2-sec-Butylphenol

Basic Information

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CAS Number

89-72-5

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

12 °C

Boiling Point

228°C

Density

0.982 g/mL at 25 °C

Refractive Index

n20/D 1.522(lit.)

Vapor Pressure

0.03 mmHg ( 20 °C)

SMILES

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CCC(C)c1ccccc1O

InChI

InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

InChIKey

NGFPWHGISWUQOI-UHFFFAOYSA-N

LogP

2.9057000000000017

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

111

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 8 Class 8

Stability

Stable, but air sensitive. Incompatible with acid chlorides, acid anhydrides, bases, strong oxidizing agents, copper and its alloys, brass.

Synonyms & References

English

2-sec-Butylphenol
Butylphenol
2-sec-Butylphenolneat
2-sec.Butylfenol
2-sec.-butylphenol
2-sek.Butylphenol
6-sec-butyl-phenol
methylpropylphenol
ortho-sec-butylphenol
OSBP
O-S-BUTYLPHENOL
o-sec-butyl-pheno
O-SEC-BUTYLPHENOL
Phenol,o-sec-butyl
Phenol,o-sec-butyl- (7CI,8CI)
(?à)-2-sec-Butylphenol
2-(1-Methylpropyl)phenol
2-(2-Butyl)phenol
2-(butan-2-yl)phenol
Phenol, 2-(1-methylpropyl)-
Phenol, o-sec-butyl-
Isopropyl o-cresol
2-sec.Butylfenol [Czech]
Phenol, 2-methyl(1-methylethyl)-
(R)-2-sec-butylphenol
NGFPWHGISWUQOI-UHFFFAOYSA-N
2-(methylpropyl)phenol
DSSTox_CID_2331
DSSTox_RID_76551
DSSTox_GSID_22331
CAS-8

MDL Number

MFCD00002225

Customs Code

2907191090

FAQ

What are the physical and chemical properties of 2-sec-Butylphenol (CAS: 89-72-5)?

2-sec-Butylphenol (CAS: 89-72-5) is a colorless to pale yellow liquid with a molecular weight of approximately 154.23 g/mol. It has a melting point of 35-36°C and a boiling point of 196-198°C. The compound is slightly soluble in water but miscible with most organic solvents. Chemically, it is stable under normal conditions but reacts with strong oxidizing agents. It is used in various applications requiring good solubility and stability.

How is 2-sec-Butylphenol (CAS: 89-72-5) typically synthesized?

2-sec-Butylphenol is typically synthesized through the reaction of sec-butyl chloride with phenol in the presence of a base such as sodium hydroxide. The reaction is carried out in an aqueous medium, and the product is isolated by acidification and extraction. Commonly used catalysts include potassium hydroxide. The yield is usually around 80-90%, with high selectivity towards 2-sec-Butylphenol.

What industries use 2-sec-Butylphenol (CAS: 89-72-5)?

2-sec-Butylphenol (CAS: 89-72-5) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a stabilizer or plasticizer, and in the sensor industry for its unique reactivity. It is also utilized in the semiconductor industry for certain applications requiring its chemical properties.

What precautions should be taken when handling 2-sec-Butylphenol (CAS: 89-72-5)?

When handling 2-sec-Butylphenol (CAS: 89-72-5), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be stored in a cool, dry place away from strong oxidizing agents. In case of a spill, it should be cleaned up using appropriate safety procedures, and the incident should be reported to the laboratory’s safety officer. Always consult the Safety Data Sheet (SDS) for detailed safety information.