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2,6-di-tert-butylphenol

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Identification
Molecular formula
C14H22O
CAS number
96-76-4
IUPAC name
2-tert-butyl-4,6-dimethyl-phenol
State
State

At room temperature, it is typically in a solid state, existing as crystalline powder or small granules.

Melting point (Celsius)
35.50
Melting point (Kelvin)
308.65
Boiling point (Celsius)
265.90
Boiling point (Kelvin)
539.05
General information
Molecular weight
206.32g/mol
Molar mass
206.3240g/mol
Density
0.8957g/cm3
Appearence

2,6-di-tert-butylphenol typically appears as a white to light yellow crystal or powder. It may sometimes appear in a slightly off-white coloration depending on impurities or environmental exposure.

Comment on solubility

Solubility of 2-tert-butyl-4,6-dimethyl-phenol

The solubility of 2-tert-butyl-4,6-dimethyl-phenol, a phenolic compound, is influenced by its unique structural features. This compound exhibits moderate solubility in various solvents, primarily due to the hydrophobic tert-butyl group and the presence of the hydroxyl functional group which can engage in hydrogen bonding.

Key Factors Affecting Solubility:

  • Polarity: The hydroxyl group contributes to polar interactions, allowing for solubility in polar solvents.
  • Hydrophobic Interactions: The bulky tert-butyl group and methyl groups lead to hydrophobic characteristics that can limit solubility in water.
  • Hydrogen Bonding: The ability of the hydroxyl group to form hydrogen bonds enhances solubility in alcohols and similar solvents.

In general, 2-tert-butyl-4,6-dimethyl-phenol tends to be better soluble in solvents such as:

  1. Alcohols (e.g., ethanol)
  2. Chloroform
  3. Aromatic hydrocarbons (e.g., toluene)

However, it shows limited solubility in water. As a rule of thumb, compounds with significant hydrophobic character like this one often display limited aqueous solubility, leading to a need for careful consideration when utilized in formulations or chemical processes. The balance between hydrophilic and hydrophobic characteristics plays a crucial role in predicting its behavior in different environments.

Interesting facts

Interesting Facts about 2-tert-butyl-4,6-dimethyl-phenol

2-tert-butyl-4,6-dimethyl-phenol, commonly known for its application in various industrial processes, offers a plethora of intriguing insights:

  • Antioxidant Properties: This compound is often utilized as a stabilizer in plastics, rubber, and food where it prevents oxidative degradation. Its ability to scavenge free radicals makes it invaluable in maintaining the integrity of products.
  • Industrial Applications: Beyond its use in food packaging, 2-tert-butyl-4,6-dimethyl-phenol serves as an antioxidant in oils and fats, ensuring prolonged shelf life.
  • Biological Activity: Research suggests that this compound may have some biological activity which can include antimicrobial effects, though further studies are needed for comprehensive understanding.
  • Chemical Structure: The presence of multiple methyl groups in its structure contributes to its lipophilicity and hydrophobic characteristics, influencing its interactions within complex environments.
  • Safety Considerations: As with many chemical compounds, handling should be approached with caution, and proper safety protocols should be followed to avoid any potential health hazards.

In summary, 2-tert-butyl-4,6-dimethyl-phenol is a fascinating compound with a wide array of applications and properties that continue to intrigue industrial chemists and researchers alike. As evident from its role in extending the longevity and quality of various materials, this compound is a testament to the importance of chemistry in everyday life.

Synonyms
1879-09-0
2-tert-Butyl-4,6-dimethylphenol
2,4-Dimethyl-6-tert-butylphenol
6-tert-Butyl-2,4-xylenol
Topanol A
6-tert-Butyl-2,4-dimethylphenol
6-t-Butyl-2,4-xylenol
Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
Prodox 340
2,4-Xylenol, 6-tert-butyl-
6-t-Butyl-2,4-dimethylphenol
NSC 8130
DTXSID6041551
EINECS 217-533-1
4HZG7U1P1S
BRN 1941702
2,4-Dimethyl-6-tert-butyl phenol
NSC-8130
DTXCID4021551
EC 217-533-1
4-06-00-03442 (Beilstein Handbook Reference)
2-TERT-BUTYL-4,6-METHYLPHENOL
4,6-DIMETHYL-2-TERT-BUTYLPHENOL
2-(1,1-DIMETHYLETHYL)-4,6-DIMETHYLPHENOL
6tButyl2,4xylenol
2,4Xylenol, 6tbutyl
2Methyl6tertbutylpcresol
2,4Xylenol, 6tertbutyl
6tButyl2,4dimethylphenol
2,4Dimethyl6tertbutylphenol
2tertButyl4,6dimethylphenol
6tertButyl2,4dimethylphenol
6(1,1Dimethylethyl)2,4dimethylphenol
Phenol, 2(1,1dimethylethyl)4,6dimethyl
217-533-1
inchi=1/c12h18o/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13h,1-5h
2-(tert-Butyl)-4,6-dimethylphenol
2,4-Dimethyl-6-t-butylphenol
2-methyl-6-tert-butyl-p-cresol
UNII-4HZG7U1P1S
6-tert-Butyl-2,4-dimethylphenol; 2-tert-Butyl-4,6-dimethylphenol
MFCD00002234
2, 6-tert-butyl-
2-(1,1-dimethylethyl)-4,6-dimethyl-phenol
SCHEMBL38838
CHEMBL3561934
NSC8130
2,4-dimethyl-6-tert-butyl-phenol
Tox21_303705
phenol, 2-tert-butyl-4,6-dimethyl-
AKOS006227764
CS-W017305
PS-8555
Phenol,1-dimethylethyl)-4,6-dimethyl-
NCGC00356939-01
WLN: QR B1 D1 F1X1&1&1
AC-10178
BP-10485
CAS-1879-09-0
DB-019984
2-(1,1-dimethylethyl)-4,6-dimethyl-pheno
B0903
NS00001670
E83022
EN300-213022
6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYLPHENOL
Q4272672