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Phenethyl isovalerate

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Identification
Molecular formula
C13H18O2
CAS number
102-20-5
IUPAC name
2-phenylethyl 3-methylbutanoate
State
State

Phenethyl isovalerate is typically in a liquid state at room temperature. It is known for its pleasant fragrance and is often used in perfumery.

Melting point (Celsius)
-30.00
Melting point (Kelvin)
243.15
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.15
General information
Molecular weight
192.27g/mol
Molar mass
192.2730g/mol
Density
0.9211g/cm3
Appearence

Phenethyl isovalerate is a colorless to pale yellow liquid. It has a floral and fruity aroma, commonly associated with notes of apple and pear, making it popular in fragrance and flavor industries.

Comment on solubility

Solubility of 2-phenylethyl 3-methylbutanoate

The solubility of 2-phenylethyl 3-methylbutanoate can be influenced by several factors, particularly its molecular structure and the nature of solvents involved. Here are some key points regarding its solubility:

  • Polarity: This compound contains both hydrophobic (aromatic ring) and polar (ester group) characteristics, suggesting it is likely to have limited solubility in water, yet may dissolve effectively in organic solvents.
  • Common Solvents: 2-phenylethyl 3-methylbutanoate is expected to be soluble in solvents such as:
    • Ethyl acetate
    • Hexane
    • Chloroform
  • Temperature Dependency: Like many organic compounds, its solubility can increase with temperature, allowing for greater dissolution in organic solvents when heated.

In summary, while 2-phenylethyl 3-methylbutanoate may exhibit limited aqueous solubility, its favorable solubility in various organic solvents makes it useful in multiple applications, emphasizing the importance of choosing the right solvent for effective dissolution.

Interesting facts

Interesting Facts about 2-phenylethyl 3-methylbutanoate

2-phenylethyl 3-methylbutanoate, commonly known as a flavoring compound, belongs to a broader category of esters, which are known for their fruity aromas and are widely used in the food and fragrance industries. Here are some engaging insights into this fascinating compound:

  • Flavor profile: This compound is celebrated for its sweet, floral, and fruity character. It contributes to the flavor profiles of various foods, enhancing the sensory experience.
  • Natural occurrence: 2-phenylethyl 3-methylbutanoate can be found in several natural sources, including certain fruits and flowers, which adds to its appeal in natural flavoring.
  • Synthetic production: While it can be derived from natural sources, this compound is often synthetically produced due to the high demand and the consistency required in food manufacturing.
  • Applications in perfumery: Its pleasant scent makes it a popular ingredient in perfumes and scented products, contributing to the overall aromatic complexity.
  • Research interests: Scientists are exploring the potential applications of this compound in various fields, including its role in food preservation and its potential health benefits.

In summary, 2-phenylethyl 3-methylbutanoate serves as a prime example of the intersection between chemistry and sensory experiences. As we continue to explore its properties and applications, this compound may hold even greater significance in flavor science, food chemistry, and perfumery.

Synonyms
140-26-1
Phenethyl isovalerate
Phenylethyl isovalerate
2-Phenylethyl 3-methylbutanoate
2-Phenylethyl isovalerate
Butanoic acid, 3-methyl-, 2-phenylethyl ester
ISOVALERIC ACID, PHENETHYL ESTER
Phenylethyl 3-methylbutyrate
Phenethyl isovalerianate
Benzylcarbinyl isovalerate
2-Phenylethyl 3-methylbutirate
Phenethyl 3-methylbutyrate
Benzylcarbinyl isopentanoate
phenethyl 3-methylbutanoate
FEMA No. 2871
Benzylcarbinyl 3-methylbutanoate
.beta.-Phenylethyl isovalerate
Phenethyl isovalerate (natural)
2-phenylethyl isopentanoate
beta-Phenylethyl isovalerate
EINECS 205-406-3
UNII-K86JE60K0L
NSC 21899
Benzyl carbinyl isovalerianate
BRN 2504902
K86JE60K0L
Phenyl ethyl 3-methyl-butanoate
Phenethyl isopentanoate
AI3-30606
FEMA 2871
Phenylethyl iso-valerate
NSC-21899
DTXSID2059693
PHENETHYL ISOVALERATE [FCC]
4-06-00-03074 (Beilstein Handbook Reference)
PHENETHYL ISOVALERATE [FHFI]
3-methylbutanoic acid 2-phenylethyl ester
Isovaleric Acid Phenethyl Ester
MFCD00044322
1-phenethyl isovalerate
I2-Phenylethyl isovalerate
beta -phenylethyl isovalerate
Phenylethyl 3-methylbutanoate
SCHEMBL114173
2-phenylethyl 3-methylbutyrate
DTXCID3034539
NSC21899
2-Phenylethyl 3-methylbutanoic acid
Isovaleric Acid 2-Phenylethyl Ester
AKOS015960577
3-methylbutanoic acid phenylethyl ester
AS-66810
Phenethyl isovalerate, >=98%, FCC, FG
DB-042513
Butanoic acid,3-methyl-,2-phenylethyl ester
CS-0154251
NS00013119
P2009
E75829
Q11066026
205-406-3