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Santonin

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Identification
Molecular formula
C15H18O3
CAS number
481-06-1
IUPAC name
6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one
State
State

At room temperature, Santonin is a solid, found in a crystalline form.

Melting point (Celsius)
170.00
Melting point (Kelvin)
443.15
Boiling point (Celsius)
318.00
Boiling point (Kelvin)
591.15
General information
Molecular weight
246.30g/mol
Molar mass
246.2920g/mol
Density
1.1981g/cm3
Appearence

Santonin appears as colorless to white crystalline solid or powder. Its crystalline form typically features prismatic shapes.

Comment on solubility

Solubility of 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one

The solubility of the compound 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one can be influenced by various factors, including its molecular structure and the presence of functional groups. Here are some key points to consider:

  • Polarity: The presence of a hydroxy group tends to increase polarity, which can enhance solubility in polar solvents like water.
  • Hydrophobic Character: The benzofuran ring structure suggests that the compound may display significant hydrophobic characteristics, potentially affecting solubility.
  • Solvent Compatibility: It may be more soluble in organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO) rather than in water due to the overall hydrophobic nature of its structure.
  • Temperature Effects: Increasing temperature often enhances solubility; therefore, the compound may exhibit different solubility characteristics at various temperatures.

In summary, while the exact solubility of 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one needs to be experimentally verified, its solubility behavior is likely to be influenced by its polarity and solvent interactions. As a result, understanding these factors is crucial for predicting its behavior in different environments.

Interesting facts

Interesting Facts about 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one

This fascinating compound, known as a member of the benzofuran family, possesses intriguing characteristics that make it a point of interest in both organic chemistry and its applications in natural product synthesis. Here are some notable aspects:

  • Natural Occurrence: Benzofuran derivatives are often found in a variety of natural sources, including plants. They frequently exhibit a range of biological activities, making them essential in pharmacological research.
  • Biological Relevance: Compounds similar to 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one have been associated with therapeutic properties, including anti-inflammatory and antioxidant effects. This suggests potential for further exploration in medicinal chemistry.
  • Synthetic Pathways: The synthesis of this compound is of interest due to its complex ring structure. Chemists are constantly developing new methods to create such benzofuran derivatives more efficiently, making it a topic for innovative organic synthesis techniques.
  • Research Potential: Due to its unique framework, this compound could serve as a scaffold for the development of new drugs. Researchers are investigating modifications to its structure to enhance its biological activity or selectivity.
  • Applications in Material Science: Beyond biology, benzofuran derivatives, including this compound, have also been studied for their potential applications in materials science, including the development of conductive polymers and dyes.

As science continues to unveil the complexities of such chemical structures, 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one represents a versatile compound rich in possibilities and scientific intrigue.

Synonyms
1133-03-5
6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-
61927-07-9
Compound NP-018553
MEGxp0_000165
SCHEMBL12939655
ACon1_001265
DTXSID10921035
CHEBI:181628
XEVQXKKKAVVSMW-UHFFFAOYSA-N
NSC289632
AKOS027321437
NCGC00169518-01
BRD-A40376972-001-01-5
6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzouran-2-one
2,4-Dihydroxy-2,6,6-trimethylcyclohexylideneacetic acid .gamma.-lactone
5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-2(4h)-benzofuranone
6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one
.DELTA.1,.alpha.-Cyclohexaneacetic acid, 2,4-dihydroxy-2,6,6-trimethyl-, .gamma.-lactone