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Oxybenzone

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Identification
Molecular formula
C14H12Cl2O
CAS number
131-57-7
IUPAC name
2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
State
State

At room temperature, Oxybenzone is a solid. It is often found in the form of a crystalline powder.

Melting point (Celsius)
62.00
Melting point (Kelvin)
335.15
Boiling point (Celsius)
183.00
Boiling point (Kelvin)
456.15
General information
Molecular weight
228.65g/mol
Molar mass
228.6450g/mol
Density
1.3600g/cm3
Appearence

Oxybenzone appears as a pale-yellow crystalline powder. It is known to be soluble in organic solvents such as ethanol, but it is poorly soluble in water, which is typical for many organic compounds of its size and structure.

Comment on solubility

Solubility of 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol

The solubility of the compound 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol (C14H12Cl2O) can be quite intriguing, especially given its complex structure. This compound features a phenolic structure that can influence its solubility characteristics in various solvents.

Key Points on Solubility:

  • Hydrophobic Characteristics: Due to the presence of a bulky tetramethylbutyl group, this compound tends to exhibit significant hydrophobic properties, which may limit its solubility in aqueous solutions.
  • Polar Protic Solvents: While it may not dissolve readily in water, it is generally more soluble in polar protic solvents like ethanol or methanol which can stabilize interactions between solvent molecules and the phenolic oxygen.
  • Non-Polar Solvents: Conversely, this compound would likely show enhanced solubility in non-polar solvents such as hexane or toluene, leveraging the hydrophobic interactions from the chlorinated aromatic ring and the bulky substituents.

In summary, while 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol may pose challenges for solubility in water, its compatibility with various organic solvents highlights the importance of selecting the right medium for dissolution. Remember, "solubility is a complex dance between structure and solvent properties!"

Interesting facts

Interesting Facts about 2-[(2,4-Dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol

This compound, often referred to in its abbreviated form, is a fascinating organic molecule that highlights the intricate relationship between chemical structure and function.

Key Highlights

  • Chirality: The compound’s structure includes various functional groups that can influence its stereochemistry, leading to unique interactions in biological systems.
  • Applications: Due to its chemical properties, it is commonly used in the manufacture of industrial products and may have applications in pharmaceuticals and agrochemicals.
  • Environmentally Relevant: The presence of chlorine atoms adds to the compound's environmental stability, an interesting factor to consider when evaluating its ecological impact.
  • Structural Diversity: The presence of bulky groups (like the tetramethylbutyl moiety) can influence the compound's reactivity and solubility, affecting how it behaves in different environments.

The dichlorophenyl moiety indicates potential use in materials science, as compounds like this are often used to create more durable polymers. As chemists, we find it rewarding to explore how altering specific atoms or groups can lead to vastly different chemical behaviors and properties.

In the words of renowned chemist Linus Pauling, "The science of chemistry is a universal science; its principles apply to all aspects of the universe." Analyzing compounds such as this one exemplifies this sentiment, as understanding their structure and reactivity is crucial across disciplines from environmental chemistry to medicinal applications.

Research Opportunities

This compound presents various avenues for further research:

  • Investigating its pharmacological properties and potential therapeutic uses.
  • Exploring its environmental fate and degradation pathways.
  • Understanding the synthesis pathways to improve efficiency and yield.

In summary, 2-[(2,4-Dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol is more than just a chemical compound; it serves as a platform for innovation and discovery in both applied and theoretical chemistry.

Synonyms
clofoctol
37693-01-9
Octofene
Clofoctol [INN]
Clofoctolum
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Gramplus
Clofoctolum [INN-Latin]
EINECS 253-632-6
alpha-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol
Clofoctol (INN)
Octofene (TN)
NSC-758389
BRN 2478182
DTXSID5045889
UNII-704083NI0R
CLOFOCTOL [MI]
CLOFOCTOL [MART.]
704083NI0R
CLOFOCTOL [WHO-DD]
2-((2,4-Dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol
Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-
DTXCID3025889
2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol
NSC 758389
NCGC00095016-01
Clofoctolum (INN-Latin)
.alpha.-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol
CLOFOCTOL (MART.)
Clofoctolo
2-[2,4-Dichlorobenzyl]-4-[1,1,3,3-tetramethylbutyl]phenol
Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-
CAS-37693-01-9
2-((2,4-dichlorophenyl)methyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Clofoctol (Standard)
Spectrum_001533
Spectrum2_001533
Spectrum3_001565
Spectrum4_000161
Spectrum5_001082
BSPBio_003070
KBioGR_000641
KBioSS_002013
MLS002207309
Clofoctol, analytical standard
DivK1c_000426
SCHEMBL147809
SPECTRUM1503206
SPBio_001346
CHEMBL1476605
GTPL12926
HMS501F08
HY-B1150R
KBio1_000426
KBio2_002013
KBio2_004581
KBio2_007149
KBio3_002570
J01XX03
CHEBI:108581
NINDS_000426
GLXC-25630
HMS1922I09
Pharmakon1600-01503206
2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
HY-B1150
MBA69301
Tox21_111389
CCG-39311
NSC758389
AKOS024374914
Tox21_111389_1
CS-4755
DB13237
IDI1_000426
NCGC00095016-02
NCGC00095016-03
NCGC00095016-05
DA-62402
MS-25826
SMR001306814
SBI-0051786.P002
NS00011739
SW220062-1
D07244
F85246
AB00052326_04
AB00052326_05
SR-01000872766
Q3680895
SR-01000872766-1
BRD-K02900412-001-04-8
BRD-K02900412-001-05-5
BRD-K02900412-001-07-1
BRD-K02900412-001-11-3
BRD-K02900412-001-12-1
2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol #
253-632-6
Clofoctol; Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-; 2-[(2,4-Dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol; 2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol; 2-(2,4-Dichlorobenzyl)-4-(2,4,4-trimethyl-2-pentyl)phenol;