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β-Ionone

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Identification
Molecular formula
C13H20O
CAS number
79-77-6
IUPAC name
4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one
State
State

β-Ionone is a liquid at room temperature.

Melting point (Celsius)
-60.00
Melting point (Kelvin)
213.15
Boiling point (Celsius)
122.00
Boiling point (Kelvin)
395.15
General information
Molecular weight
192.30g/mol
Molar mass
192.2970g/mol
Density
0.9420g/cm3
Appearence

β-Ionone appears as a colorless to pale yellow liquid. It has a characteristic floral and violet-like odor, often used in perfumery to impart fragrance.

Comment on solubility

Solubility of 4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one

The solubility of the compound 4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one can be influenced by several factors, including its molecular structure and polarity. This compound, characterized by its unique cyclic structure and multiple substituents, may exhibit the following solubility properties:

  • Polarity: The presence of functional groups can affect the compound's overall polarity, which is crucial in determining solubility in polar or nonpolar solvents.
  • Hydrophobic Interactions: Given its hydrocarbon nature, this compound may demonstrate hydrophobic characteristics, suggesting low solubility in water but potentially higher solubility in organic solvents such as ethanol or hexane.
  • Temperature Influence: Elevated temperatures typically increase solubility, particularly for organic compounds, so this aspect should be considered when determining solubility limits.
  • Chirality: The specific stereochemistry, indicated by the (1S,3R) configuration, may also affect solubility due to differences in interactions with solvation shells.

In summary, while definitive solubility data may not be readily available, it is likely that this compound is:

  • Insoluble in water
  • Soluble in organic solvents

Understanding these properties can aid in predicting the behavior of the compound in different environments and applications.

Interesting facts

Interesting Facts about 4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one

The compound 4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one is a fascinating example of a natural product that exhibits both structural complexity and biological significance. Here are some intriguing facts:

  • Natural Occurrence: This compound is derived from various essential oils and natural substances, reflecting its role in plant metabolism and ecological interactions.
  • Biological Activity: Many compounds similar in structure are known to exhibit bioactivity, including antimicrobial and anti-inflammatory properties, making this compound a potential candidate for pharmacological studies.
  • Cyclic Structures: The presence of the cyclohexyl group contributes to its unique three-dimensional shape, affecting how it interacts with biological systems and enzymes.
  • Potential Applications: Compounds of this type can be utilized in the fragrance and flavor industry, offering a rich array of flavors and aromas due to their complex structures.
  • Stereochemistry: The specific stereochemical configuration of this compound indicates that it may interact differently with receptors in biological systems, highlighting the importance of stereochemistry in drug design and development.

The intricate balance between its chemical structure and its potential applications makes 4-[(1S,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one an exciting subject for further research. As scientists continue to study such compounds, they may unlock valuable insights into their contributions to human health and industry.

Synonyms
SCHEMBL10629138