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Beta-Carotene

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Identification
Molecular formula
C40H56
CAS number
7235-40-7
IUPAC name
(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
State
State

At room temperature, Beta-Carotene is typically a solid. It is not very soluble in water but can dissolve in organic solvents such as chloroform, benzene, and carbon disulfide.

Melting point (Celsius)
183.00
Melting point (Kelvin)
456.15
Boiling point (Celsius)
677.70
Boiling point (Kelvin)
950.90
General information
Molecular weight
536.87g/mol
Molar mass
536.8720g/mol
Density
0.9470g/cm3
Appearence

Beta-Carotene is a red-orange pigment. It often appears as dark orange crystals or a crystalline powder. In nature, it is responsible for the orange color of many fruits and vegetables, such as carrots and pumpkins.

Comment on solubility

Solubility of (1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

The solubility of organic compounds such as (1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol (C40H56) can be influenced by several factors, particularly its complex structure and hydrophobic properties.

Key points regarding its solubility include:

  • Polarity: The extensive hydrocarbon chains and cyclic structures are likely to make this compound less polar, contributing to its solubility primarily in non-polar solvents.
  • Solvent compatibility: Expected to dissolve well in organic solvents such as hexane, ethyl acetate, and chloroform.
  • Water solubility: Likely very low or negligible in water, due to the large hydrophobic portions of its molecular structure.
  • Temperature influence: Solubility may increase with temperature, especially in organic solvents.

Overall, the solubility of this compound reflects typical behavior of large, organic, hydrophobic molecules, which favor non-polar environments. As this compound does not readily dissolve in polar solvents, one might conclude: "Like dissolves like." Thus, finding a suitable solvent with similar characteristics is paramount for effective dissolution.

Interesting facts

Interesting Facts about (1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

This intriguing compound exhibits a complex molecular structure that is characteristic of many naturally occurring substances. Here are some fascinating insights about this compound:

  • Stereochemistry: The use of multiple stereochemical configurations, such as 1S and 1R, underscores the importance of chirality in determining the properties and reactivity of organic molecules.
  • Natural vs. Synthetic: This compound's intricate design is reminiscent of various natural products, which can have profound implications in the fields of medicine and biochemistry. Compounds like this may serve as potential leads in drug development.
  • Functional Groups: The presence of multiple functional groups, particularly the methylene and cyclohexanol moieties, suggests that this compound might engage in interesting chemical reactions, including polymerization or cyclization, making it suitable for chemical synthesis applications.
  • Biological Activity: Many compounds with similar structures exhibit significant biological activity, including anti-inflammatory and anticancer properties, which is a promising area for further research.
  • Structure-Activity Relationship (SAR): Understanding how alterations in the structure influence biological activity is critical in medicinal chemistry, and molecules like this serve as a valuable resource for SAR studies.
  • Potential Applications: Beyond medicinal chemistry, compounds with such features are often explored in fields like flavor chemistry and fragrances, possibly enhancing sensory experiences.

In conclusion, the compound (1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol highlights the beautiful complexity of organic chemistry and the potential for discovering novel applications through exploration of its unique structure and properties.

Synonyms
50-14-6