3-tert-butylphenol | Solubility of Things

Identification

Molecular formula

C₁₀H₁₄O

CAS number

585-34-2

IUPAC name

3-tert-butylphenol

State

At room temperature, 3-tert-butylphenol is typically in a solid state. Its crystalline nature makes it stable at ambient conditions, and it does not readily dissolve in water. It is more soluble in organic solvents such as ethanol and ether.

Melting point (Celsius)

97.00

Melting point (Kelvin)

370.15

Boiling point (Celsius)

236.00

Boiling point (Kelvin)

509.15

General information

Molecular weight

150.22g/mol

Molar mass

150.2210g/mol

Density

0.8950g/cm³

Appearence

3-tert-butylphenol appears as white crystalline solid in its pure form. It may also be encountered as an off-white to pale yellow solid. The compound has a characteristic phenolic odor, which is often described as sharp and medicinal. Due to the presence of the bulky tert-butyl group, it can exhibit steric hindrance in its crystalline structure.

Comment on solubility

Solubility of 3-tert-butylphenol

3-tert-butylphenol, with its unique branched alkyl substituent, exhibits intriguing solubility characteristics due to its molecular structure. The solubility of 3-tert-butylphenol can be summarized as follows:

Solvent Interaction: This compound shows better solubility in organic solvents compared to water. It is partially soluble in water, typically around 100-200 mg/L at room temperature.
Hydrophobic Behavior: The bulky tert-butyl group contributes to its hydrophobic character, leading to limited solubility in polar solvents like water.
Solubility in Organic Solvents: 3-tert-butylphenol is readily soluble in non-polar solvents such as hexane or benzene, owing to its aromatic nature and hydrophobic characteristics.

As a note, the solubility can vary based on temperature and the presence of other solutes. Generally, increased temperature enhances solubility in most organic solvents.

Understanding these solubility traits is essential for applications in pharmaceutical and chemical processes, where the compound's environmental interactions and behavior can significantly influence efficacy and safety.

Interesting facts

Interesting Facts About 3-tert-butylphenol

3-tert-butylphenol is a fascinating compound that plays a significant role in various industries and applications. This compound is primarily known for its use in the production of antioxidants, which are critical in protecting materials from oxidative damage. Here are some key facts about 3-tert-butylphenol:

Chemical Structure: The unique structure of 3-tert-butylphenol features a tert-butyl group attached to the phenolic ring. This structure not only contributes to its chemical reactivity but also enhances its physical properties.
Applications: This compound is predominantly used in the synthesis of butylated hydroxytoluene (BHT), a widely utilized antioxidant in foods, cosmetics, and plastics. BHT helps prolong the shelf life of products by preventing rancidity.
Environmental Considerations: While 3-tert-butylphenol has useful applications, it is essential to consider its environmental impact. The compound may exhibit endocrine-disrupting properties, making it a subject of regulatory scrutiny.
Synthesis: The synthesis of 3-tert-butylphenol typically involves the alkylation of phenol with isobutylene, which is a straightforward yet effective method.
Research Potential: Due to its structural characteristics, 3-tert-butylphenol also piques the interest of chemists aiming to explore new chemical reactions or develop novel materials with enhanced properties.

In summary, 3-tert-butylphenol stands out as a vital compound with broad applications spanning across various fields. As an active area of study, understanding its properties and implications continues to illuminate pathways for innovation and sustainability in chemical science.

Synonyms

3-tert-Butylphenol

585-34-2

m-tert-Butylphenol

Phenol, 3-(1,1-dimethylethyl)-

3-t-Butylphenol

DTXSID9044825

EINECS 209-553-4

2382U55WN2

DTXCID7024825

3-(1,1-DIMETHYLETHYL)PHENOL

5-TERT-BUTYL-1-HYDROXYBENZENE

mtertButylphenol

Phenol, 3(1,1dimethylethyl)

209-553-4

3-(tert-butyl)phenol

3-tert-butyl-phenol

Phenol, m-tert-butyl-

MFCD00002300

Phenol, 3-tert-butyl-

CHEBI:34348

UNII-2382U55WN2

3-tertbutylphenol

3-tert.butylphenol

m-tert.-butylphenol

3-tert.-butylphenol

3-tert-Butyl phenol

ST50824235

M-TERT-BUTYL-PHENOL

3-tert-butyl-hydroxybenzene

3-tert-Butylphenol, 99%

SCHEMBL50933

BIDD:ER0561

CHEMBL224899

3-(1,1-dimethylethyl)-phenol

CYEKUDPFXBLGHH-UHFFFAOYSA-

Tox21_301686

AKOS000120521

NCGC00256058-01

AC-26474

AS-14546

CAS-585-34-2

B0731

CS-0015724

NS00015220

EN300-20961

O11053

A831909

AE-562/43460593

Q27116004

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