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Methyl 3-methylbutanoate

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Identification
Molecular formula
C6H12O2
CAS number
868-57-5
IUPAC name
methyl 3-methylbutanoate
State
State

At room temperature, methyl 3-methylbutanoate is in a liquid state.

Melting point (Celsius)
-87.00
Melting point (Kelvin)
186.15
Boiling point (Celsius)
112.70
Boiling point (Kelvin)
385.85
General information
Molecular weight
116.16g/mol
Molar mass
116.1590g/mol
Density
0.8857g/cm3
Appearence

Methyl 3-methylbutanoate is a clear, colorless liquid. It has a fruity odor that is often associated with apples or pineapple, making it commonly used in fragrances and flavoring.

Comment on solubility

Solubility of Methyl 3-Methylbutanoate

Methyl 3-methylbutanoate, with the chemical formula C6H12O2, exhibits specific solubility characteristics that are noteworthy in the realm of organic chemistry. As an ester, it tends to behave differently in various solvents:

  • Apolar Solvent Compatibility: Methyl 3-methylbutanoate is generally insoluble in water due to its non-polar hydrocarbon tail. This makes it more soluble in apolar solvents such as hexane or petroleum ether.
  • Polar Solvent Interactions: In contrast, while it is not soluble in water, it can dissolve to a small extent in polar organic solvents like ethanol or acetone. This behavior is attributed to partial interactions between the polar ester and the polar hydrogen bonding of the solvents.

The solubility profile can be summarized as follows:

  1. Soluble in organic solvents like hexane, diethyl ether.
  2. Partially soluble in polar solvents like ethanol.
  3. Insoluble in water.

It's essential to consider that the conditions such as temperature and the specific concentration may influence these solubility features. As the temperature increases, the solubility of many organic compounds like methyl 3-methylbutanoate often improves due to increased molecular motion. Such aspects are vital for applications in synthesis and formulation where solubility plays a critical role.

Interesting facts

Methyl 3-methylbutanoate: An Overview

Methyl 3-methylbutanoate, a fascinating ester, is known for its intriguing properties and applications in both chemistry and industry. Here are some engaging facts about this compound:

  • Fragrance and Flavor: This compound is often utilized in the food and fragrance industries. It possesses fruity notes resembling those of apples and peanuts, making it a popular choice for flavoring agents and perfumes.
  • Synthesis: Methyl 3-methylbutanoate can be synthesized via esterification, where 3-methylbutanoic acid reacts with methanol in the presence of an acid catalyst. This reaction highlights the importance of reaction conditions in maximizing yield.
  • Biological Relevance: Some esters, including methyl 3-methylbutanoate, have been studied for their roles in attracting pollinators in various plant species. This illustrates the compound's significance beyond industrial applications, demonstrating its ecological impact.
  • Solvent Properties: In a laboratory setting, methyl 3-methylbutanoate can serve as an effective solvent. Its solvent capabilities make it valuable for various chemical reactions and extractions.
  • Environmental Considerations: As with many organic compounds, studying the environmental impact of methyl 3-methylbutanoate is crucial. Researchers focus on its biodegradability and potential effects on ecosystems, ensuring sustainability in its application.

In summary, methyl 3-methylbutanoate is more than just a simple ester; it is a compound enriched with diverse applications, from creating delightful aromas and flavors to playing a role in ecological interactions. The study of such compounds not only enhances our understanding of organic chemistry but also emphasizes the interconnectedness of chemistry with nature and industry.

Synonyms
Methyl isovalerate
Methyl 3-methylbutanoate
556-24-1
Butanoic acid, 3-methyl-, methyl ester
FEMA No. 2753
Methyl isovalerate (natural)
EINECS 209-117-3
Methyl iso-valerate
isopentanoic acid methyl ester
BRN 1699922
UNII-QPS4788198
QPS4788198
METHYL ISOVALERATE [MI]
DTXSID5060300
METHYL ISOVALERATE [FCC]
FEMA 2753
METHYL ISOVALERATE [FHFI]
4-02-00-00897 (Beilstein Handbook Reference)
UN 2400
Methyl 3-methylbutanoic acid
DTXCID2041911
209-117-3
inchi=1/c6h12o2/c1-5(2)4-6(7)8-3/h5h,4h2,1-3h
oqagvswesncjjt-uhfffaoysa-n
Methyl isopentanoate
Methyl 3-methylbutyrate
Isovaleric acid, methyl ester
Methyl isovalerianate
Isovaleric Acid Methyl Ester
3-Methylbutanoic acid methyl ester
3-methyl-butanoic acid methyl ester
methylisovalerate
UN2400
MFCD00042866
Isovaleric acid-methyl ester
Methyl isovalerate [UN2400] [Flammable liquid]
SCHEMBL112862
CHEBI:89832
Methyl isovalerate, >=99%, FG
3-methyl-butyric acid methyl ester
BBL011395
LMFA07010950
STL146498
AKOS005721109
HY-W540636
Methyl isovalerate, >=98.0% (GC)
Methyl isovalerate, analytical standard
AS-40996
DB-003722
I0198
NS00012914
EN300-220515
Methyl isovalerate [UN2400] [Flammable liquid]
Q27162017