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Diisopropyl phenyl dicarboxylate

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Identification
Molecular formula
C21H26O5
CAS number
86486-83-9
IUPAC name
O1-benzyl O2-[1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzene-1,2-dicarboxylate
State
State

At room temperature, this compound is in a liquid state. It is stable under normal conditions of use and storage.

Melting point (Celsius)
-45.00
Melting point (Kelvin)
228.15
Boiling point (Celsius)
335.60
Boiling point (Kelvin)
608.80
General information
Molecular weight
338.44g/mol
Molar mass
338.4420g/mol
Density
1.1744g/cm3
Appearence

The compound appears as a colorless liquid. It does not exhibit any distinct color and remains transparent at room temperature.

Comment on solubility

Solubility of O1-benzyl O2-[1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzene-1,2-dicarboxylate

The solubility of this complex compound, O1-benzyl O2-[1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzene-1,2-dicarboxylate, can be influenced by various factors. Generally, the solubility characteristics can be discussed based on its structural components and polarity:

  • Polarity: The presence of polar functional groups, such as carboxylate moieties, may enhance solubility in polar solvents like water.
  • Hydrophobic Regions: On the contrary, the hydrophobic benzene rings and alkyl chains can decrease solubility in polar solvents.
  • Solvent Interaction: This compound's solubility may vary significantly in non-polar organic solvents (like hexane) versus polar solvents (like ethanol or acetone).
  • Concentration: At higher concentrations, solubility might display a different behavior due to intermolecular interactions.

As with many organic compounds, it is crucial to perform empirical solubility tests to determine exact solubility values and understand how structural variations impact its dissolving behavior in various media. Engaging in this exploration provides essential insights into the compound's potential applications and reactivity.

Interesting facts

Interesting Facts about O1-benzyl O2-[1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzene-1,2-dicarboxylate

O1-benzyl O2-[1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzene-1,2-dicarboxylate is a fascinating compound that showcases the complexity of organic chemistry. Here are some interesting insights into this unique chemical:

  • Structural Diversity: The compound features a dicarboxylate structure, indicating the presence of two carboxylate functional groups, which significantly enhances its reactivity and potential applications in various fields.
  • Substituent Effects: With multiple substituents such as isopropyl and dimethyl groups, the compound exhibits a range of steric and electronic effects that can influence its properties and reactivity.
  • Applications: Compounds like this dicarboxylate are often studied for their potential use in materials science, drug development, and organic synthesis, making them valuable in both academia and industry.
  • Reaction Pathways: Understanding the reaction pathways of such complex molecules can unveil mechanisms of chemical reactions critical in synthetic organic chemistry.

This compound serves as a reminder of the intricate and dynamic nature of chemical compounds. As researchers delve deeper into its chemistry, the potential innovations that could arise from such studies are limitless!

Synonyms
16883-83-3
Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate
Benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalate
EINECS 240-920-1
NUV6UJ7024
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
DTXSID4027785
Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate
1,2-Benzenedicarboxylic acid, 1-(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) 2-(phenylmethyl) ester
Phthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrate
1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATE
ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester
DTXCID507785
1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate
3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate
benzyl 2-[({2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl}oxy)carbonyl]benzoate
benzyl 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl phthalate
HPZSSCRWFLKGOG-UHFFFAOYSA-N
UNII-NUV6UJ7024
SCHEMBL159120
SCHEMBL29765626
Phthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrat
DB-369819
NS00002305
Q27285060
1,2-Benzenedicarboxylic Acid 2,2-Dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl Ester; Benzyl 3-Hydroxy-1-isopropyl-2,2-dimethylpropyl Ester Isobutyrate Phthalic Acid; Isobutyric Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate