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Allyl isovalerate

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Identification
Molecular formula
C8H14O2
CAS number
2835-39-4
IUPAC name
allyl 3-methylbutanoate
State
State

At room temperature, allyl isovalerate is a liquid. It is typically used as a fragrant or flavoring agent in various applications due to its distinctive aroma.

Melting point (Celsius)
-73.00
Melting point (Kelvin)
200.15
Boiling point (Celsius)
172.00
Boiling point (Kelvin)
445.15
General information
Molecular weight
142.21g/mol
Molar mass
142.2090g/mol
Density
0.8740g/cm3
Appearence

Allyl isovalerate is a colorless to pale yellow liquid. It has a fruity odor, which is commonly associated with pineapple or apple-like scents, making it useful in the fragrance and flavor industries.

Comment on solubility

Solubility of Allyl 3-methylbutanoate

Allyl 3-methylbutanoate, with its unique structure, displays interesting solubility characteristics. This ester, often used in flavoring and fragrance applications, can be assessed in terms of its ability to dissolve in various solvents. Here are some key points regarding its solubility:

  • Solvents: Allyl 3-methylbutanoate is generally soluble in organic solvents, particularly in non-polar and polar aprotic solvents such as diethyl ether, acetone, and hexane.
  • Water Solubility: Like many esters, its solubility in water is limited; it exhibits only slight solubility. This is primarily due to its hydrophobic carbon chain, which resists interactions with water molecules.
  • Temperature Effects: Increases in temperature can enhance the solubility of this compound in organic solvents, allowing for better dissolution properties and functionality in various applications.

In conclusion, allyl 3-methylbutanoate's solubility profile is heavily influenced by its molecular structure and the nature of solvents. As a rule of thumb, “like dissolves like”—this means that its compatibility with solvents is optimal when similar types of intermolecular forces are at play.

Interesting facts

Interesting Facts about Allyl 3-Methylbutanoate

Allyl 3-methylbutanoate is an intriguing ester compound that is part of the larger family of fatty acid esters. This compound is known for its characteristic fruity aroma, making it an important ingredient in the flavor and fragrance industry. Here are some engaging insights into this unique compound:

  • Natural Origins: Allyl 3-methylbutanoate can be found in several fruits, contributing to their blissful aromas. This compound plays a key role in the scent profile of fruits such as apples and peaches.
  • Synthetic Production: The compound can be synthesized through the reaction of malonic acid and allyl bromide, followed by acid-catalyzed esterification. This makes it a fascinating subject for organic synthesis studies.
  • Applications: Due to its pleasant fragrance, allyl 3-methylbutanoate is widely used in the food industry as a flavoring agent and in the cosmetic industry for perfumes and scented products.
  • Research Potential: Given the compound's aromatic properties, scientists are continuously exploring its potential in varied applications, including the development of new flavor profiles and even in biomedicine.

As you can see, allyl 3-methylbutanoate is not just a simple ester; it is a compound with diverse implications across various fields. Understanding such compounds allows chemists and students to appreciate the complexity and beauty of chemistry in everyday life.

Synonyms
ALLYL ISOVALERATE
2835-39-4
Allyl isopentanoate
2-Propenyl 3-methylbutanoate
Butanoic acid, 3-methyl-, 2-propenyl ester
FEMA No. 2045
ALLYLISOVALERATE
NCI-C54717
prop-2-en-1-yl 3-methylbutanoate
Allyl iso-valerate
CCRIS 21
NSC 18606
HSDB 4183
EINECS 220-609-7
Butanoic acid, 3-methyl-, 2-propen-1-yl ester
BRN 1750520
DTXSID4039233
UNII-3551Z86V7T
AI3-24271
NSC-18606
3551Z86V7T
DTXCID0048
ALLYL ISOVALERATE [FCC]
ALLYL ISOVALERATE [FHFI]
ALLYL ISOVALERATE [HSDB]
ALLYL ISOVALERATE [IARC]
ALLYL ISOVALERATE (IARC)
2Propenyl isovalerate
Allyl 3methylbutyrate
Allyl 3methylbutanoate
2Propenyl isopentanoate
2Propenyl 3methylbutanoate
3-METHYLBUTANOIC ACID 2-PROPENYL ESTER
3Methylbutyric acid, allyl ester
2-Propenyl 3-methylbutanoic acid
Butyric acid, 3methyl, allyl ester
3Methylbutanoic acid, 2propenyl ester
Butanoic acid, 3methyl, 2propenyl ester
3-METHYLBUTANOIC ACID, ALLYL ESTER
220-609-7
4-02-00-00899 (beilstein handbook reference)
homagvucnznwbc-uhfffaoysa-n
Isovaleric acid, allyl ester
Allyl 3-methylbutanoate
Allyl isovalerianate
2-Propenyl isovalerate
Allyl 3-methylbutyrate
2-Propenyl isopentanoate
3-Methylbutyric acid, allyl ester
prop-2-enyl 3-methylbutanoate
Butyric acid, 3-methyl-, allyl ester
3-Methylbutanoic acid, 2-propenyl ester
CHEBI:82380
CAS-2835-39-4
Allyl 3-methylbutanoate #
SCHEMBL873242
CHEMBL1887355
WLN: 1Y1&1VO2U1
Allyl isovalerate, >=98%, FCC
NSC18606
Tox21_201307
Tox21_303369
LMFA07010742
Allyl isovalerate, analytical standard
AKOS015995543
NCGC00164414-01
NCGC00164414-02
NCGC00257346-01
NCGC00258859-01
DB-047384
NS00011944
Butanoic acid,3-methyl-,2-propen-1-yl ester
C19318
Q27155908