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Ambrein

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Identification
Molecular formula
C30H51O2
CAS number
82658-61-5
IUPAC name
2,3-bis[(7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate
State
State

At room temperature, ambrein exists as a solid.

Melting point (Celsius)
85.00
Melting point (Kelvin)
358.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
815.49g/mol
Molar mass
815.4880g/mol
Density
0.9359g/cm3
Appearence

Ambrein typically appears as a white crystalline solid or powder with a distinct, fragrant odor that is often described as sweet, musky, and earthy. It is usually sought after for its fixative properties in perfumery, where it is used to stabilize and enhance the scent of fragrances.

Comment on solubility

Solubility of 2,3-bis[(7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate

The solubility of the compound 2,3-bis[(7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate exhibits characteristics largely influenced by its complex structure and functional groups.

  • Organic Solvent Compatibility: This compound is likely to be soluble in nonpolar organic solvents due to its large hydrophobicphenanthrene segments, which prefer nonpolar environments.
  • Water Solubility: The presence of ester functional groups may render the compound partially soluble in water, but overall solubility is expected to be low due to the extensive hydrophobic characteristics of the hydrocarbon chains.
  • Temperature Dependence: Like many organic compounds, solubility may increase with temperature, making it more soluble at elevated temperatures.

As a general rule, compounds with significant hydrophobic areas, like this one, tend to follow the principle of "like dissolves like," where nonpolar solvents are more effective in dissolving nonpolar substances.
Hence, while it may exhibit some degree of solubility in polar solvents, the interactions forced by its hydrophobic structure predominantly dictate its solubility profile.

Interesting facts

Interesting Facts About 2,3-bis[(7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate

This compound represents a fascinating intersection of organic chemistry and material science, showcasing the complexity that can arise in organic synthesis. It features an intricate structure, characterized by a long chain of carbons and multiple functional groups, making it an interesting subject of study for chemists. Here are some notable aspects:

  • Complexity in Composition: The compound contains two structurally similar segments that are linked together, illustrating the beauty of nature’s intricate designs on a molecular level.
  • Potential Applications: Due to the presence of phenanthrene rings, this compound may find applications in organic electronics or as a precursor for advanced materials used in nanotechnology.
  • Biocompatibility: Compounds that are derivatives of such large organic molecules often exhibit desirable biocompatibility, which can be beneficial in drug delivery systems.
  • Chirality: The isopropyl groups in the structure may impart chirality, which is important in the development of pharmaceuticals where the specific orientation of molecules can affect biological activity.

The careful manipulation of each portion of this molecule illustrates the skill required in contemporary organic synthesis, as chemists often go through multiple reactions and purification steps to achieve the desired end product. Understanding compounds like this one can help pave the way for innovative discoveries in the fields of medicinal chemistry and polymer science.

In summary, the study of 2,3-bis[(7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate opens up numerous avenues for research and application, making it a key compound in the ever-expanding world of chemistry.

Synonyms
125-93-9
Abietic acid, dihydro-, triester with glycerol
HSDB 5607
EINECS 204-761-1
DTXSID801014559
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1theta-(1alpha,4abeta,4balpha,10aalpha))-
RefChem:108530
DTXCID901437128
1,2,3Propanetriyl (1R(1alpha,4abeta,4balpha,10aalpha))1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro7isopropyl1,4adimethylphenanthren1carboxylate
1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,1',1''(1,2,3propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)
1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,2,3propanetriyl ester, (1R(1alpha,4abeta,4balpha,10aalpha))
1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,2,3propanetriyl ester, (1theta(1alpha,4abeta,4balpha,10aalpha))
2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate
1,2,3-propanetriyl [1R-(1alpha,4abeta,4balpha,10aalpha)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-
KZAOFYDFGRIAQU-UHFFFAOYSA-N
1,2,3-Propanetriyl (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate