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Trimethylolpropane tribenzoate

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Identification
Molecular formula
C30H32O6
CAS number
6459-77-6
IUPAC name
[3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate
State
State

At room temperature, trimethylolpropane tribenzoate is a liquid, although it may solidify at slightly lower temperatures due to its melting point being around 42°C. It is often used as a plasticizer.

Melting point (Celsius)
42.00
Melting point (Kelvin)
315.15
Boiling point (Celsius)
200.00
Boiling point (Kelvin)
473.15
General information
Molecular weight
524.59g/mol
Molar mass
524.5870g/mol
Density
1.1790g/cm3
Appearence

Trimethylolpropane tribenzoate is typically a clear, viscous liquid. Due to its ester functional groups, it may exhibit a characteristic ester-like odor which is generally mild compared to other industrial esters.

Comment on solubility

Solubility of [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate

The solubility of the compound [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate can be quite complex due to its structure and functional groups. This compound features numerous aromatic rings and ester linkages, which may influence its solubility in various solvents.

Factors Affecting Solubility

When considering the solubility of this compound, several important factors come into play:

  • Polarity: The presence of multiple benzoyloxy groups may increase the overall hydrophobic character, making the compound less soluble in polar solvents like water.
  • Solvent Interaction: This compound could show better solubility in organic solvents such as ethanol, acetone, or chloroform due to their similar non-polar characteristics.
  • Concentration and Temperature: Solubility can dramatically change with varying temperatures and concentrations, often necessitating experimentation to determine optimal conditions.

As a general observation, compounds like [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate with bulky aromatic structures typically exhibit lower solubility in water but can be effectively dissolved in organic solvents. This interplay of structure and solubility highlights the importance of understanding both the chemical makeup and the environmental context in which these compounds are utilized.

Interesting facts

Interesting Facts about [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate

This intriguing compound belongs to a category of organic compounds known as esters, which are commonly formed from an alcohol and an acid. In this case, the esters are formed from benzoic acid and a complex alcohol structure. The presence of multiple benzoyloxy groups adds layers of complexity and functionality to its molecular architecture.

Functional Significance

The structure of [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate demonstrates several key features that are significant:

  • Pharmacological Interest: With its unique functional groups, this compound may exhibit interesting biological activities, potentially making it relevant in medicinal chemistry.
  • Versatile Applications: Due to the presence of aromatic rings, this compound can be utilized in various chemical syntheses, acting as a precursor or an intermediate in organic reactions.
  • Potential in Material Science: Compounds like this one have the potential for use in emerging technologies such as organic electronics and drug delivery systems, thanks to their structural properties.

Chemical Properties

Among the notable characteristics of this compound is the potential for stereoisomerism, given the chiral centers present. This can lead to a variety of isomers, each with distinct chemical behaviors. Furthermore, compounds with multiple ester linkages often reveal interesting physical chemistry properties such as varying degrees of reactivity based on environmental conditions.

When it comes to synthesis

Creating [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate would likely involve condensation reactions, common in organic synthesis. This includes:

  • Selective Protection: Using protecting groups for the hydroxyl functionalities to facilitate specific reactions.
  • Strategic Functional Group Manipulation: Employing reagents that allow for the introduction of the various benzoyloxy groups while preserving the overall structural integrity.

In conclusion, [3-benzoyloxy-2-(benzoyloxymethyl)-2-methyl-propyl] benzoate is a fascinating compound that showcases the intricate relationships between structure and function in organic chemistry. Its complexity not only provides avenues for research but also highlights the beauty of molecular architecture!

Synonyms
Trimethylolethyl tribenzoate
Trimethylolethane tribenzoate
4196-87-6
CCRIS 4585
EINECS 224-080-3
NSC 166505
2-[(BENZOYLOXY)METHYL]-2-METHYLPROPANE-1,3-DIYL DIBENZOATE
1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tribenzoate
2-((Benzoyloxy)methyl)-2-methyl-1,3-propanediol dibenzoate
2-((Benzoyloxy)methyl)-2-methylpropane-1,3-diyl dibenzoate
1,3-Propanediol, 2-((benzoyloxy)methyl)-2-methyl-, dibenzoate
NSC-166505
2-((Benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol
2-(HYDROXYMETHYL)-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE
177275099B
1,3-Propanediol, 2-((benzoyloxy)methyl)-2-methyl-, 1,3-dibenzoate
BENZOYLOXY)METHYL)-2-METHYLDIBENZOATE-1,3-PROPANEDIOL, 2-((
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-methyl-, 1,3-dibenzoate
2-[(BENZOYLOXY)METHYL]-2-METHYLDIBENZOATE-1,3-PROPANEDIOL
1,3-PROPANEDIOL,2-(HYDROXYMETHYL)-2-METHYL,TRIBENZOATE
224-080-3
1,3-Propanediol 2-((benzoyloxyl)methyl)-2-methyl-dibenzoate
UNII-177275099B
SCHEMBL2020359
DTXSID1024590
PJLLCGNQPWXWGL-UHFFFAOYSA-N
2-(HYDROXYMETHYL)-2-METHYL-1,3- PROPANEDIOL TRIBENZOATE
NSC166505
AKOS024323214
NS00031074
1, 2-(hydroxymethyl)-2-methyl-, tribenzoate
1, 2-[(benzoyloxy)methyl]-2-methyl-, dibenzoate
Q27251873
2-HYDROXYMETHYL-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE
1,3-PROPANEDIOL, 2-((BENZOYLOXY)METHYL)-2-METHYL-, 1,3- DIBENZOATE