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Neopentyl glycol diisobutyrate

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Identification
Molecular formula
C18H34O4
CAS number
72480-44-9
IUPAC name
[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
State
State

At room temperature, neopentyl glycol diisobutyrate is found as a liquid. It remains stable under normal conditions and is commonly used due to its favorable liquid state at ambient temperatures.

Melting point (Celsius)
-70.00
Melting point (Kelvin)
203.15
Boiling point (Celsius)
310.00
Boiling point (Kelvin)
583.15
General information
Molecular weight
284.42g/mol
Molar mass
284.4230g/mol
Density
0.9689g/cm3
Appearence

Neopentyl glycol diisobutyrate is a colorless liquid with a mild, characteristic ester-like odor. It is clear and homogeneous in nature.

Comment on solubility

Solubility of [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

The solubility of [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is influenced by several factors, primarily its chemical structure and the nature of its functional groups. Understanding the solubility characteristics of this compound can provide insight into its potential applications and effective usage in various formulations.

Key Factors Affecting Solubility:

  • Hydrophobic vs. Hydrophilic Balance: This compound contains long hydrocarbon chains, which tend to be hydrophobic, making it less soluble in polar solvents like water.
  • Functional Groups: The presence of functional groups such as esters can increase solubility in organic solvents while decreasing it in water.
  • Temperature: Solubility can also change with temperature; typically, an increase in temperature enhances the solubility of organic compounds.
  • Solvent Type: Due to its structure, [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is likely to be more soluble in non-polar or slightly polar organic solvents (e.g., hexane, acetone) than in water.

In summary, the solubility of [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is expected to be limited in aqueous environments, while it shows a greater affinity for organic solvents. This solubility behavior is typical for esters, where the balance between hydrophilic and hydrophobic regions plays a critical role. As a result, suitable solvent selection is crucial when working with this compound in laboratory or industrial applications.

Interesting facts

Interesting Facts About [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is a fascinating compound with notable characteristics that pique the interest of scientists and students alike. Here are some captivating insights:

  • Complex Structure: This compound showcases a multi-functional structure with various functional groups, making it a prime candidate for studying organic synthesis and reaction mechanisms.
  • Application Potential: With its unique composition, it holds potential applications in fields such as pharmaceuticals, agriculture, and polymer chemistry. Understanding its reactive sites can lead to innovations in these domains.
  • Esters in Chemistry: Being an ester, it belongs to a class of compounds known for their pleasant aromas and flavors. Many esters are used in the fragrance and food industries, highlighting their commercial importance.
  • Synthetic Pathways: The synthesis of this intricate molecule can serve as an educational platform for students, demonstrating methods such as esterification and group transformation in organic synthesis.

As Marie Curie once said, "One never notices what has been done; one can only see what remains to be done." Exploring compounds like [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate opens new avenues in the vast realm of organic chemistry, reaffirming the significance of continuous learning and exploration in science.


This compound exemplifies how complex molecular designs can lead to innovative solutions in chemistry, making the field ever more exciting for both aspiring chemists and seasoned researchers.

Synonyms
6846-50-0
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Kodaflex txib
Texanol Isobutyrate
Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
TRIMETHYL PENTANYL DIISOBUTYRATE
EINECS 229-934-9
4KZA479DWQ
2,2,4-Trimethylpentanediol-1,3-diisobutyrate
Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
BRN 1878083
1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
2,2,4-Trimethyl-1,3-pentanediol ester
DTXSID1027635
EASTMAN TXIB
HSDB 8097
DTXCID807635
TEXANOL ISOBUTYRATE [MI]
EC 229-934-9
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester)
2,2,4-trimethyl-1,3-pentanediyl diisobutyrate
Propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
2,2,4-trimethyl-1,3-pentanediol di(isopropylformate)
Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
Kodaflex TX1B
TMPD-DIB
DTXCID307821
(+-)-TRIMETHYL PENTANYL DIISOBUTYRATE
TRIMETHYL PENTANYL DIISOBUTYRATE [INCI]
TRIMETHYL PENTANYL DIISOBUTYRATE, (+-)-
isobutyric acid,1-isopropyl-2,2-dimethyltrimethylene ester
Isobutyric acid, 1-isopropyl-2,2-dimethyl trimethylene ester
dtxsid3027821
2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)
TXIB
[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CHEBI:89871
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate
trimethyl-1,3-pentanediol diisobutyrate
CAS-6846-50-0
UNII-4KZA479DWQ
MFCD00059267
SCHEMBL43993
2,2,4-Trimethylpentane-1,3-diylbis(2-methylpropanoate)
CHEMBL3183335
Tox21_202454
Tox21_300316
MSK162829
AKOS015900127
CS-W012217
NCGC00164194-01
NCGC00164194-02
NCGC00164194-03
NCGC00254147-01
NCGC00260003-01
LS-14544
1ST162829
DB-250801
MSK162829-1000
NS00010306
T0997
(+/-)-TRIMETHYL PENTANYL DIISOBUTYRATE
E82998
1ST162829-1000
TRIMETHYL PENTANYL DIISOBUTYRATE, (+/-)-
Q27162056
2,2,4-Trimethyl-1,3-pentandiyl-bis(2-methylpropanoat)
2,2,4-TRIMETHYLPENTANE-1,3-DIOL DIISOBUTYRATE
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, >=98.5%
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, analytical standard
3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate #
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate Solution in Acetone, 1000?g/mL
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate Solution in Acetone, 1000mug/mL