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4-tert-butylcatechol

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Identification
Molecular formula
C10H14O2
CAS number
98-29-3
IUPAC name
4-tert-butylbenzene-1,2-diol
State
State

At room temperature, 4-tert-butylcatechol is a solid.

Melting point (Celsius)
52.50
Melting point (Kelvin)
325.65
Boiling point (Celsius)
284.00
Boiling point (Kelvin)
557.15
General information
Molecular weight
166.22g/mol
Molar mass
166.2210g/mol
Density
1.0470g/cm3
Appearence

4-tert-Butylcatechol typically appears as a white to light tan crystalline solid. It may also be found as a powder, and upon exposure to air or light, it can gradually darken.

Comment on solubility

Solubility of 4-tert-butylbenzene-1,2-diol

4-tert-butylbenzene-1,2-diol, with its unique structure, exhibits interesting solubility characteristics. Understanding the solubility of this compound is essential for its applications in various chemical processes.

Water Solubility

While 4-tert-butylbenzene-1,2-diol is a diol, which typically suggests higher solubility in water, the presence of the bulky tert-butyl group affects its overall hydrophilicity. Key points include:

  • The hydroxyl (-OH) groups tend to increase solubility in polar solvents.
  • However, the large tert-butyl group reduces the compound's capacity to interact with water molecules.
  • As a result, the solubility in water is expected to be limited compared to small, linear diols.

Solubility in Organic Solvents

Conversely, 4-tert-butylbenzene-1,2-diol is likely to be more soluble in non-polar or slightly polar organic solvents. This is due to:

  • Increased compatibility with solvents like hexane or ethyl acetate due to its aromatic structure.
  • The non-polar tert-butyl group enhances solubility in similar non-polar environments.

Conclusion

In summary, the solubility of 4-tert-butylbenzene-1,2-diol presents a characteristic duality. It may dissolve more favorably in organic solvents while facing challenges in polar environments, demonstrating the influence of structural components on solubility behavior.

Interesting facts

Interesting Facts about 4-tert-Butylbenzene-1,2-diol

4-tert-Butylbenzene-1,2-diol is a fascinating compound that has garnered attention in various fields of chemistry due to its unique structure and properties. Here are some intriguing points about this compound:

  • Structural Characteristics: The compound features a benzene ring with a tert-butyl group and two hydroxyl (-OH) groups. This arrangement contributes to its potential as a versatile building block in organic synthesis.
  • Chemical Reactivity: As a diol, 4-tert-butylbenzene-1,2-diol can undergo multiple reactions typical of alcohols, including oxidation, substitution, and esterification. This opens up avenues for more complex organic molecules to be synthesized.
  • Applications in Research: This compound is often utilized in research related to pharmaceuticals and materials science. Its unique combination of functional groups can enhance the solubility and bioavailability of active pharmaceutical ingredients.
  • Influence on Physical Properties: The presence of the bulky tert-butyl group can impact the steric hindrance and thus affect how the compound interacts with other molecules, making it a point of interest in molecular modeling and interactions.
  • Environmental Considerations: Studying compounds like 4-tert-butylbenzene-1,2-diol can help understand environmental impacts and the behavior of organic pollutants, informing better strategies for remediation and pollution control.

Overall, 4-tert-butylbenzene-1,2-diol exemplifies the rich complexity found in organic compounds and highlights the importance of studying their properties for practical applications in various scientific domains.

Synonyms
4-tert-Butylcatechol
98-29-3
p-tert-Butylcatechol
4-(tert-butyl)benzene-1,2-diol
4-tert-Butylpyrocatechol
4-tert-butylbenzene-1,2-diol
p-tert-Butyl catechol
4-t-Butylpyrocatechol
p-tert-Butylpyrocatechol
4-tert-Butylcatechin
p-t-Butylpyrocatechol
4-T-BUTYLCATECHOL
1,2-Benzenediol, 4-(1,1-dimethylethyl)-
Synox TBC
Pyrocatechol, 4-tert-butyl-
4-tert-Butyl-1,2-benzenediol
4-TBC
1,2-Dihydroxy-4-tert-butylbenzene
4-tert-Butyl-1,2-dihydroxybenzene
4-tert-butyl catechol
4-tert-Butylpyrokatechin
NSC 5310
CCRIS 3332
4-tert-Butylpyrokatechin [Czech]
EINECS 202-653-9
BRN 2043335
DTXSID5024687
AI3-24363
NSC-5310
9A069144KR
DTXCID804687
BUTYL CATECHOL, P-TERT-
EC 202-653-9
4-06-00-06014 (Beilstein Handbook Reference)
NCGC00091483-03
para-tert-butyl catechol
4-tert-Butyl-pyrocatechol
CAS-98-29-3
4-tertiary butyl catechol
MFCD00002201
4tButylcatechol
ptertButylcatechol
UNII-9A069144KR
4tertButylcatechin
4tertButylcatechol
ptButylpyrocatechol
p-tertbutylcatechol
4tButylpyrocatechol
4-tertbutylcatechol
diallyl butanedioate
p-t-butyl catechol
4- t-Butylcatechol
ptertButylpyrocatechol
4tertButylpyrocatechol
4tertButylpyrokatechin
4-tert-butylcathechol
p-tert.-butylcatechol
4-(1,1-Dimethylethyl)-1,2-benzenediol
4k7o
4-tert.-butyl-catechol
4-tertiarybutyl catechol
Pyrocatechol, 4tertbutyl
4tertButyl1,2benzenediol
4-tert-Butylcatechol;TBC
4-(tert-butyl)pyrocatechol
4-(tertbutyl)-pyrocatechol
4-tert.-butyl pyrocatechol
4-(tert-butyl)-pyrocatechol
SCHEMBL50705
4-t-Butyl-1,2-benzenediol
1,2Dihydroxy4tertbutylbenzene
4tertButyl1,2dihydroxybenzene
MLS001065578
BIDD:ER0238
4-tert-Butylpyrocatechol(TBC)
CHEMBL220845
4-(1,1-Dimethylethyl)catechol
1, 4-(1,1-dimethylethyl)-
NSC5310
4-tert-Butylcatechol, >=99.0%
Tox21_202989
Tox21_400003
BBL011511
STL146627
AKOS000119685
1,2Benzenediol, 4(1,1dimethylethyl)
CS-W017861
FB62985
NCGC00091483-01
NCGC00091483-02
NCGC00091483-04
NCGC00091483-05
NCGC00260534-01
WLN: QR BQ DX1 & 1 & 1
4-tert-Butylcatechol (CAS 98-29-3)
AC-10567
BP-30171
SMR000568493
VS-02966
4-tert-Butylcatechol, >=98.0% (HPLC)
DB-057718
B0739
NS00006528
EN300-19909
D77815
Q840843
4-tert-Butylcatechol, SAJ first grade, >=98.0%
4-tert-Butylcatechol, technical, flakes, >=98% (HPLC)
F1995-0233
Z104476062
4-(1,1-Dimethylethyl)-1,2-benzenediol; 4-tert-Butylpyrocatechol; PTBC; TBC
InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H