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Benzyl isobutyrate

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Identification
Molecular formula
C11H14O2
CAS number
103-28-6
IUPAC name
benzyl 2-methylpropanoate
State
State

At room temperature, benzyl isobutyrate is a liquid. It is stable under normal temperatures and pressures but should be kept away from strong oxidizing agents.

Melting point (Celsius)
-50.00
Melting point (Kelvin)
223.00
Boiling point (Celsius)
241.00
Boiling point (Kelvin)
514.00
General information
Molecular weight
178.23g/mol
Molar mass
178.2300g/mol
Density
0.9725g/cm3
Appearence

Benzyl isobutyrate appears as a colorless to pale yellow liquid with a sweet, fruity aroma. This compound is often used in fragrances and flavorings due to its pleasant scent and flavor profile.

Comment on solubility

Solubility of Benzyl 2-methylpropanoate

Benzyl 2-methylpropanoate, a chemical compound with the formula C12H16O2, exhibits interesting solubility characteristics that can be quite informative. Its solubility is influenced by several factors, primarily its molecular structure, which dictates its interaction with various solvents.

General Solubility Insights

  • Solvent Compatibility: This compound is generally more soluble in organic solvents such as ethanol, ether, and chloroform compared to water.
  • Hydrophobic Nature: Due to its relatively hydrophobic alkyl chains, benzyl 2-methylpropanoate is poorly soluble in polar solvents like water.
  • Concentration Dependencies: At higher concentrations, the compound may exhibit an increase in viscosity, potentially affecting its solubility further.

In summary, while benzyl 2-methylpropanoate shows limited solubility in aqueous environments, it is readily soluble in various organic solvents. This solubility behavior is crucial for applications in organic synthesis and formulation chemistry, allowing chemists to tailor solvent systems according to their specific needs.

Interesting facts

Interesting Facts about Benzyl 2-Methylpropanoate

Benzyl 2-methylpropanoate is a fascinating chemical compound that belongs to the class of esters, which are recognized for their pleasant aromas and flavors. Here are some intriguing aspects of this compound:

  • Fragrance and Flavor: This compound is often utilized in the fragrance industry due to its sweet, floral notes. It is commonly added to perfumes, cosmetics, and even food products to enhance their sensory appeal.
  • Chemical Reactions: As an ester, benzyl 2-methylpropanoate can undergo hydrolysis, where it can react with water to revert to its acid and alcohol components. This reaction is significant in various chemical syntheses and is a crucial concept in organic chemistry.
  • Biological Applications: Compounds like benzyl 2-methylpropanoate may exhibit biological activity and potential applications in pharmacology. Research is ongoing to explore its properties and uses in medicinal chemistry.
  • Structural Characteristics: This compound features a benzyl group, which contributes to its unique chemical behaviors. The inclusion of the branched 2-methylpropanoate moiety provides insights into sterics and electronic effects in chemical bonding.
  • Eco-friendly Alternatives: With a growing focus on sustainability, esters like benzyl 2-methylpropanoate could be used as less toxic alternatives for solvents and other industrial products, minimizing environmental impact.

In conclusion, benzyl 2-methylpropanoate is not only a compound of interest in organic chemistry but also plays a pivotal role in various industries due to its aromatic qualities and potential applications. As research progresses, it may uncover further benefits and uses that enhance our everyday lives.

Synonyms
Benzyl isobutyrate
103-28-6
Benzyl 2-methylpropanoate
Phenylmethyl 2-methylpropanoate
Benzyl isobutanoate
Propanoic acid, 2-methyl-, phenylmethyl ester
ISOBUTYRIC ACID, BENZYL ESTER
Benzyl 2-methylpropionate
Benzyl 2-methyl propionate
FEMA No. 2141
Benzyl isobutyrate (natural)
Benzylester kyseliny isomaselne
EINECS 203-095-9
UNII-P98PE45V9M
Benzyl iso-butyrate
NSC 406201
BRN 1869299
P98PE45V9M
DTXSID6047602
AI3-02944
MFCD00048315
NSC-46112
NSC-406201
BENZYL ISOBUTYRATE [FCC]
DTXCID4027602
FEMA 2141
UIKJRDSCEYGECG-UHFFFAOYSA-
BENZYL ISOBUTYRATE [FHFI]
WLN: 1Y1 & VO1R
Benzylester kyseliny isomaselne [Czech]
Isobutyric Acid Benzyl Ester
Isobutyric acid-benzyl ester
Benzyl 2-methylpropanoate #
Benzyl 2-methylpropanoic acid
SCHEMBL112859
CHEMBL3561355
CHEBI:173823
Phenylmethyl 2-methylpropanoic acid
NSC46112
Tox21_303852
2-methyl-propionic acid benzyl ester
NSC406201
AKOS005207085
Benzyl isobutyrate, >=97%, FCC, FG
2-methylpropanoic acid phenylmethyl ester
NCGC00357266-01
BS-42196
CAS-103-28-6
SY049768
CS-0154334
I0424
NS00012005
D91147
Benzyl isobutyrate, natural (US), >=97%, FG
Q27286406
203-095-9