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Calcium Abietate

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Identification
Molecular formula
C40H58CaO4
CAS number
5780-62-7
IUPAC name
calcium;(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
State
State

Calcium abietate is typically a solid at room temperature.

Melting point (Celsius)
283.00
Melting point (Kelvin)
556.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
642.99g/mol
Molar mass
642.9870g/mol
Density
1.0500g/cm3
Appearence

Calcium abietate typically appears as a pale yellow to amber solid or powder. It may appear slightly transparent or translucent and has a resinous quality due to its derivation from abietic acid.

Comment on solubility

Solubility of Calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

The solubility of calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate can be a nuanced topic, as it depends on various factors such as temperature, solvent, and ion concentration. Here are some key points about its solubility:

  • Solvent Type: The solubility profile may vary significantly between polar and nonpolar solvents. Typically, organic compounds may exhibit higher solubility in organic solvents.
  • Temperature Influence: Increasing temperature generally enhances the solubility of many organic compounds due to higher kinetic energy.
  • pH Sensitivity: As a carboxylate, the solubility could be affected by the acidity or basicity of the solution, impacting the ionization state.

While impurities and the presence of complexing agents can further influence solubility, it is often noted that:

  • "Like dissolves like" - compounds with similar polarities tend to mix better.
  • The degree of saturation in solution plays a critical role in achieving maximum solubility.

In summary, the solubility of calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate is contingent upon a variety of physical and chemical variables, making it essential to consider these factors during experiments or applications.

Interesting facts

Interesting Facts about Calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

Calcium is a vital element in our world, known primarily for its role in biological systems and various industrial applications. The compound mentioned here is a complex ester derived from a unique bicyclic structure. Let's explore some intriguing aspects of this compound:

  • Biological Importance: Calcium ions play a crucial role in cellular processes, including muscle contraction, neurotransmitter release, and blood coagulation. This compound’s structural intricacies may influence how it interacts within biological systems.
  • Structural Complexity: The compound features an intricate polycyclic framework with multiple stereocenters. The specific stereochemistry (1R, 4aR, 4bR, 10aR) suggests that individual isomers could exhibit varied biological activities, leading to interesting avenues for research.
  • Pharmaceutical Applications: The presence of functional groups such as carboxylate may imply potential applications in drug development, particularly in targeting specific biological pathways or functions.
  • Natural Products Chemistry: Compounds similar to this one often mimic natural products, leading to the exploration of their potential as agrochemicals or therapeutics. Understanding their behavior could inspire new synthetic strategies or improve existing compounds.
  • Research Potential: Due to its complexity, this compound could serve as a model for studying stereochemical effects in chemical reactions and interactions. It opens up discussions about how minor changes in structure can lead to significant changes in properties and functions.

Overall, the study of this calcium compound not only sheds light on its chemical characteristics but also illustrates the broader implications of complex molecules in science and industry. As chemists explore and manipulate such structures, they contribute to advances in various fields, from medicine to materials science.

Synonyms
Calcium abietate
Rosin calcium salt
Calcium rosinate
calcium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Calcium rosin
Limed rosin
Limed wood rosin
Metallic resinate
Rosin, limed
calcium (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
Rosin, calcium salt
Rosin acid, calcium salt
Wood rosin, calcium salt
EINECS 236-677-6
Calcium abietate, technical
HSDB 961
EINECS 232-694-8
UN1313
UN1314
Calcium resinate, fused
EC 232-694-8
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt, (1R,4aR,4bR,10aR)-
SCHEMBL1317076
DTXSID20928696
NS00086609
Calcium resinate [UN1313] [Flammable solid]
Calcium resinate, fused [UN1314] [Flammable solid]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, calcium salt (2:1), (1R,4aR,4bR,10aR)-