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Diethylhexyl adipate

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Identification
Molecular formula
C22H42O4
CAS number
103-23-1
IUPAC name
[3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate
State
State

The compound is typically found in a liquid state at room temperature. It is used in various industrial applications due to its flexibility and compatibility with a wide range of substances.

Melting point (Celsius)
-67.00
Melting point (Kelvin)
206.15
Boiling point (Celsius)
416.00
Boiling point (Kelvin)
689.15
General information
Molecular weight
370.66g/mol
Molar mass
370.6640g/mol
Density
0.9144g/cm3
Appearence

The compound appears as a colorless, oily liquid. It is a clear and odorless substance that is often utilized due to its plasticizing properties in various materials.

Comment on solubility

Solubility of [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate

The solubility of [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate can be influenced by various factors such as temperature, polarity, and the presence of solvents. This compound is an ester, which typically exhibits interesting solubility characteristics.

Key Factors Affecting Solubility:

  • Polarity: Being an ester, [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate is likely to display moderate polarity. This can enhance solubility in polar solvents.
  • Temperature: Like many organic compounds, increased temperatures generally improve solubility. Elevated temperatures can help break molecular interactions, allowing greater dissolution.
  • Solvent Choice: This compound may be soluble in organic solvents such as ethanol, acetone, or chloroform while being less soluble in water due to the larger hydrophobic portions of its structure.

It’s essential to remember that when considering solubility, the expression "like dissolves like" often holds true; therefore, the choice of solvent plays a crucial role in how well this compound will dissolve. In practical applications, conducting specific solubility tests under various conditions is paramount to fully understand its behavior in different environments.

Interesting facts

Interesting Facts about [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate

[3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate is a fascinating compound belonging to a class of chemicals known for their applications in various industries. Here are some interesting facts about this compound:

  • Functional Groups: The compound features several functional groups that contribute to its unique properties. The ether and ester functionalities play a crucial role in determining the compound's reactivity and utility.
  • Applications in Industry: This compound can be explored for its potential use in formulations such as lubricants, surfactants, and even as intermediates in the synthesis of pharmaceuticals. Its unique structure allows for modifications that could enhance performance in applications.
  • Structure-Activity Relationship: The structural intricacies of [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate make it a prime candidate for studies on structure-activity relationships (SAR). Understanding how modifications to its structure affect its biological activity can lead to the development of more efficient compounds.
  • Environmental Considerations: As with many organic compounds, it's essential to consider the environmental impact of its production and use. Scientists are continually researching ways to synthesize such compounds more sustainably to minimize their ecological footprint.
  • Potential for Novel Research: Due to its complex structure, [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate presents opportunities for novel research avenues in synthetic chemistry, including exploring new reaction pathways or enhancing existing methodologies.

Overall, [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate exemplifies the intersection of chemical synthesis and application, showcasing the potential for innovation in both fundamental and applied chemistry. As chemists continue to explore such compounds, they contribute to a deeper understanding of materials science and its practical applications across various fields.

Synonyms
28510-23-8
neopentyl glycol diethylhexanoate
NEOPENTYL GLYCOL DIOCTANOATE
Neopentyl glycol di(2-ethylhexoate)
UNII-U68ZV6W62C
Neopentyl glycol di(2-ethylhexanoate)
Neopentyl glycol bis(2-ethylhexanoate)
U68ZV6W62C
SCHERCEMOL NGDO
KAK-NDO
EINECS 249-060-1
COSMOL 525
Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl ester
DTXSID20865431
EC 249-060-1
neopentylglycol di-2-ethylhexanoate
Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
Octanoic acid, 2,2-dimethyl-1,3-propanediol diester
1,3-PROPANEDIOL, 2,2-DIMETHYL-, BIS(2-ETHYLHEXANOATE)
HEXANOIC ACID, 2-ETHYL-, 2,2-DIMETHYLTRIMETHYLENE ESTER
RefChem:165333
DTXCID10813840
NEOPENTYL GLYCOL DIETHYLHEXANOATE [INCI]
249-060-1
2,2-Dimethylpropane-1,3-diyl 2-ethylhexanoate
[3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate
SCHEMBL296220
GORMSINSWZJIKL-UHFFFAOYSA-N
NS00002423
Q27290744
NEOPENTYL GLYCOL, DIESTER WITH 2-ETHYLHEXANOIC ACID