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Butyl levulinate

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Identification
Molecular formula
C9H16O3
CAS number
2052-15-5
IUPAC name
butyl 4-oxopentanoate
State
State

Butyl levulinate is a liquid at room temperature.

Melting point (Celsius)
-66.00
Melting point (Kelvin)
207.15
Boiling point (Celsius)
246.00
Boiling point (Kelvin)
519.15
General information
Molecular weight
158.20g/mol
Molar mass
158.1980g/mol
Density
0.9654g/cm3
Appearence

Butyl levulinate is a colorless to pale yellow liquid. It has a fruity to herbal odor which makes it noticeable in its physical state.

Comment on solubility

Solubility of Butyl 4-Oxopentanoate

Butyl 4-oxopentanoate, with a chemical formula C9H16O3, exhibits interesting solubility characteristics that can be influenced by various factors. Here are some key points about its solubility:

  • Polarity: Due to the presence of both hydrophobic (butyl group) and hydrophilic (carbonyl and ester groups) components, butyl 4-oxopentanoate is moderately polar.
  • Solvents: This compound is generally soluble in common organic solvents like:
    • Ethyl acetate
    • Acetone
    • Chloroform
  • Aqueous Solubility: Its solubility in water is quite low, mainly because organic esters typically have limited interaction with polar solvent molecules.
  • Influence of Temperature: Like many organic compounds, solubility may increase with temperature, allowing for greater dissolution in organic solvents.
  • pH Effects: The solubility can be affected by the pH of the solution, particularly if an acid-base reaction alters the compound's form.

In summary, while C9H16O3 has a greater affinity for organic solvents than for water, its solubility reflects a balance of its molecular structure and external conditions, making it a fascinating subject of study in chemistry.

Interesting facts

Interesting Facts about Butyl 4-Oxopentanoate

Butyl 4-oxopentanoate, known for its distinct functional group, is an intriguing compound with various applications in organic chemistry and the synthesis of other chemicals. Here are some noteworthy aspects of this compound:

  • Functional Versatility: Butyl 4-oxopentanoate contains both an ester functional group and a ketone group, making it a versatile intermediate in organic synthesis.
  • Flavor and Fragrance: Compounds like butyl 4-oxopentanoate can sometimes be used to create artificial flavors or fragrances, contributing to the sensory aspects of food and cosmetics.
  • Synthetic Pathways: It can be synthesized through various reactions, allowing chemists to explore different pathways in organic synthesis, including esterification and oxidation processes.
  • Biological Research: Compounds similar to butyl 4-oxopentanoate can be studied for their biological activities, potentially leading to the development of new pharmaceuticals or agrochemicals.

In the realm of chemistry, butyl 4-oxopentanoate stands as a prime example of how simple structural modifications can lead to a diverse range of chemical behaviors and properties. It symbolizes the intricate balance between structure and function that underlies organic chemistry.

In the words of renowned chemist Linus Pauling, "The best way to have a good idea is to have a lot of ideas." The exploration of compounds like butyl 4-oxopentanoate showcases innovation and creativity in the field of chemistry.

Synonyms
Butyl levulinate
Butyl 4-oxopentanoate
2052-15-5
n-Butyl levulinate
Pentanoic acid, 4-oxo-, butyl ester
Butyl laevulinate
n-Butyl laevulinate
LEVULINIC ACID, BUTYL ESTER
Butyl 4-ketovalerate
Butyl acetylpropionate
4-Ketopentanoic acid butyl ester
FEMA No. 2207
NSC 78451
EINECS 218-143-4
UNII-OI56208RTB
Levulinic acid n-butyl ester
BRN 1768453
OI56208RTB
DTXSID3038800
AI3-00518
NSC-78451
BUTYL LEVULINATE [FHFI]
DTXCID1018800
EC 218-143-4
4-03-00-01563 (Beilstein Handbook Reference)
218-143-4
isbwnekjsslxod-uhfffaoysa-n
n-Butyl 4-oxopentanoate
4-oxo-pentanoic acid butyl ester
Butyl4-oxopentanoate
Levulinic Acid Butyl Ester
Butyl 4-Oxovalerate
n-butyl-4-ketovalerate
Butyl levulinate, 98%
Butyl levulinate, >=97%
SCHEMBL118152
4-Oxovaleric Acid Butyl Ester
n-Butyl levulinate; 4-Oxo-pentanoic acid butyl ester
CHEMBL3188634
FEMA 2207
CHEBI:171935
CAA05215
NSC78451
Tox21_301714
MFCD00009449
AKOS009166419
NCGC00255405-01
AS-62130
CAS-2052-15-5
L0138
NS00009432
D78070
Q27285665