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Isobutyl 3-methylbutanoate

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Identification
Molecular formula
C9H18O2
CAS number
626-08-4
IUPAC name
isobutyl 3-methylbutanoate
State
State

At room temperature, isobutyl 3-methylbutanoate exists in a liquid state.

Melting point (Celsius)
-102.00
Melting point (Kelvin)
171.00
Boiling point (Celsius)
155.00
Boiling point (Kelvin)
428.00
General information
Molecular weight
158.24g/mol
Molar mass
158.2410g/mol
Density
0.8620g/cm3
Appearence

Isobutyl 3-methylbutanoate is a colorless liquid with a fruity odor, often reminiscent of apples or strawberries. It is used as a fragrance in various applications.

Comment on solubility

Solubility of Isobutyl 3-methylbutanoate

Isobutyl 3-methylbutanoate, a compound known for its ester characteristics, exhibits specific solubility behavior worth noting. Here are some key points regarding its solubility:

  • Moderate Solubility in Water: Due to the presence of the ester functional group, isobutyl 3-methylbutanoate displays moderate solubility in water. However, its hydrophobic isobutyl and 3-methylbutyl components limit complete solubility.
  • Good Solubility in Organic Solvents: This compound is highly soluble in numerous organic solvents, including ethanol, methanol, and other hydrocarbon-based solvents, making it particularly useful in various chemical applications.
  • Temperature Dependence: Like many organic compounds, its solubility in both water and organic solvents can be affected by temperature. Increasing temperature usually enhances solubility.

To summarize, while isobutyl 3-methylbutanoate presents some challenges with water solubility, its affinity for organic solvents makes it a versatile compound in synthetic chemistry. As a general rule, the solubility of esters often correlates with their hydrocarbon chain length and functional groups present, enhancing their behavior in different mediums.

Interesting facts

Interesting Facts about Isobutyl 3-Methylbutanoate

Isobutyl 3-methylbutanoate is an ester that belongs to the family of organic compounds known for their distinctive fruity aromas and flavors. This compound is formed from the reaction of isobutanol and 3-methylbutanoic acid, making it a perfect example of how different organic molecules can combine to create something entirely new.

Key Features

  • Natural Source: Isobutyl 3-methylbutanoate is commonly found in various fruits, contributing to their natural scent and flavor profiles. It is often detected in apples and pears.
  • Flavoring Agent: Due to its pleasant fruity aroma, it is widely used in the food industry as a flavoring agent. This compound helps enhance the taste of candies, beverages, and baked goods.
  • Fragrance Industry: In addition to food applications, it serves an important role in the fragrance industry, providing freshness and a touch of sweetness in perfumes and scented products.

Chemical Properties

This compound is a part of a larger class of substances called esters, which are typically characterized by their fruity scents. The formation of esters like isobutyl 3-methylbutanoate occurs via a process known as esterification, where an alcohol and a carboxylic acid react under acidic conditions.

Applications

  • Cosmetics: Its pleasing fragrance makes it a popular choice for various cosmetic products.
  • Aromatherapy: Isobutyl 3-methylbutanoate can also be found in aromatherapy, where its scent is believed to promote relaxation and uplift mood.

This compound exemplifies the beauty of organic chemistry and demonstrates how the amalgamation of simple components can lead to more complex, aromatic products. Whether in cocktails or perfumes, isobutyl 3-methylbutanoate continues to brighten our sensory experiences!

Synonyms
ISOBUTYL ISOVALERATE
2-Methylpropyl 3-methylbutanoate
Butanoic acid, 3-methyl-, 2-methylpropyl ester
2-Methylpropyl 3-methylbutyrate
Isobutylisovalerate
Isobutyl isovalerate (natural)
FEMA No. 3369
NSC 6993
2-methylpropyl-3-methylbutyrate
EINECS 209-653-8
UNII-6VCJ0UB168
BRN 1702649
6VCJ0UB168
AI3-33586
NSC-6993
DTXSID5060431
FEMA 3369
ISOBUTYL ISOVALERATE [MI]
2-METHYL PROPYL 3-METHYL BUTYRATE
2-METHYLPROPYL 3-METHYLBUTYRATE [FHFI]
2-METHYL PROPYL 3-METHYL BUTYRATE [FCC]
DTXCID6042494
2-Methylpropyl 3-methylbutanoic acid
209-653-8
4-02-00-00898 (beilstein handbook reference)
kebdnknvchqiju-uhfffaoysa-n
589-59-3
Isovaleric acid, isobutyl ester
2-Methylpropyl isovalerate
Isobutyl isopentanoate
Isobutyl 3-methylpropanoate
Isovaleric Acid Isobutyl Ester
Isobutyl 3-methylbutanoate
MFCD00048349
3-Methylbutanoic acid 2-methylpropyl ester
Butyl isovalerate, natural
Isobutyl 3-methyl butyrate
SCHEMBL128660
CHEBI:89086
NSC6993
WLN: 1Y1&1VO1Y1&1
LMFA07010727
AKOS024437963
Isobutyl isovalerate, >=98.0% (GC)
LS-13709
DB-053295
CS-0199173
I0197
NS00012680
E79207
Isobutyl isovalerate, natural (US), >=99%, FG
Q27161264