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Benzyl isovalerate

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Identification
Molecular formula
C12H10O5
CAS number
103-38-8
IUPAC name
(13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate
State
State

At room temperature, benzyl isovalerate is in a liquid state. It might solidify only at much lower temperatures, given its relatively low freezing point, which is typical for many ester compounds.

Melting point (Celsius)
-45.00
Melting point (Kelvin)
228.15
Boiling point (Celsius)
268.00
Boiling point (Kelvin)
541.15
General information
Molecular weight
148.21g/mol
Molar mass
148.2050g/mol
Density
1.3260g/cm3
Appearence

Benzyl isovalerate typically appears as a colorless to pale yellow liquid. It has a characteristic sweet and fruity odor reminiscent of apples or pears. Its appearance is clear and viscous, indicative of its use in flavoring and fragrance formulations.

Comment on solubility

Solubility of (13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate

The compound with the chemical formula C12H10O5 presents unique solubility characteristics attributable to its complex molecular structure. Understanding its solubility is crucial for applications in pharmaceuticals and material science.

Key Solubility Features

  • Polar and Non-Polar Interactions: The presence of multiple hydroxyl (–OH) groups enhances polarity, suggesting it may be soluble in polar solvents like water or alcohols.
  • Hydrophobic Regions: The benzyl and isopropenyl groups introduce hydrophobic characteristics, which could limit solubility in highly polar environments.
  • Potential for Formulation: Due to its amphiphilic nature, this compound might be effectively utilized in formulations requiring compatibility with both aqueous and organic media.

As a general rule, the solubility of complex organic molecules depends on the balance between their hydrophilic and hydrophobic portions. Thus, predicting the exact solubility behavior in various solvents requires further empirical investigation. Testing in different solvent systems could yield valuable insights into its solubility profile.

Overall, while the compound shows promise for solubility in various environments, precise measurements and conditions must be established to derive conclusive data.

Interesting facts

Interesting Facts about 13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate

This compound is a fascinating example of a complex organic molecule, showcasing the intricate beauty of natural product chemistry. With such a long and intricate name, it represents a rich structure that is often found in various plant-derived substances.

Key Features:

  • Complexity: The formation of multiple rings in its structure highlights the remarkable versatility and creativity of carbon-based chemistry.
  • Functional Groups: This compound incorporates hydroxy and acetate functionalities, which not only enhance its reactivity but also contribute to biological activity.
  • Potential Uses: Compounds of this nature are often studied for their pharmaceutical properties, particularly in the realm of anti-inflammatory, antioxidant, and anticancer activities.

Many researchers are drawn to compounds like this due to their potential applications. For example, the presence of the hydroxyphenyl acetate moiety suggests potential interactions with biological receptors. The study of such compounds often leads to discoveries in drug development and natural product synthesis.

Research Insights:

  • It is crucial to investigate the mechanisms of action of such compounds to better understand their biological effects.
  • Due to the nature of their complex structures, synthesis and characterization can be a thrilling challenge for chemists.

As a scientist or chemistry student, exploring compounds with such elaborate structures can deepen your understanding of organic reactions, stereochemistry, and the relationship between chemical structure and biological activity. Each new study involving these compounds paves the way for innovations that could impact a multitude of fields including pharmacology, material science, and biochemistry. Embrace the complexity and potential in molecules like these!

Synonyms
tinyatoxin
58821-95-7
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate
(2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,3b,6,6a,9a,10,11,11a-octahydro-7H-2,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-5-yl)methyl 2-(4-hydroxyphenyl)acetate
SCHEMBL9941913
AKOS040754216