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Hexyl isobutyrate

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Identification
Molecular formula
C10H20O2
CAS number
2349-07-7
IUPAC name
hexyl 2-methylpropanoate
State
State

At room temperature, Hexyl isobutyrate is in a liquid state.

Melting point (Celsius)
-54.00
Melting point (Kelvin)
219.15
Boiling point (Celsius)
186.50
Boiling point (Kelvin)
459.65
General information
Molecular weight
172.27g/mol
Molar mass
172.2650g/mol
Density
0.8710g/cm3
Appearence

Hexyl isobutyrate is a colorless to pale yellow liquid that may have a fruity odor. It is used in flavorings and fragrances due to its pleasant smell.

Comment on solubility

Solubility of Hexyl 2-methylpropanoate

Hexyl 2-methylpropanoate, an ester with the chemical formula C11H22O2, exhibits distinct solubility characteristics that are essential for its applications. Here are some key points regarding its solubility:

  • Solvent Compatibility: Hexyl 2-methylpropanoate is generally insoluble in water due to its long hydrophobic hydrocarbon chain which hinders its interaction with polar water molecules.
  • Solubility in Organic Solvents: Conversely, this compound is highly soluble in a variety of organic solvents, such as:
    • Ethyl acetate
    • Hexane
    • Chloroform
  • Temperature Effects: Like many esters, its solubility properties can change with temperature, often becoming more soluble in organic solvents as temperature increases.

In summary, hexyl 2-methylpropanoate is characterized by its hydrophobic nature which leads to excellent solubility in non-polar organic solvents while being resistant to dissolution in polar solvents like water. This behavior is typical for long-chain esters and plays an important role in their utility in various chemical applications.

Interesting facts

Interesting Facts about Hexyl 2-methylpropanoate

Hexyl 2-methylpropanoate is a fascinating ester that plays an intriguing role in the world of organic chemistry and various applications. Here are some engaging facts about this compound:

  • Fragrance and Flavor: One of the notable uses of hexyl 2-methylpropanoate is in the flavor and fragrance industry. It is often used to impart fruity notes reminiscent of apricots and peaches in food products and perfumes.
  • Synthetic Routes: The synthesis of hexyl 2-methylpropanoate can be achieved through esterification methods, typically involving the reaction of hexanol with 2-methylpropanoic acid.
  • Biodegradability: As an ester, hexyl 2-methylpropanoate is relatively biodegradable, making it an appealing option for sustainable product formulations that minimize environmental impact.
  • Solvent Properties: Hexyl 2-methylpropanoate is known for its effectiveness as a solvent in various chemical reactions, aiding in the solubility of different materials.
  • Toxicity and Safety: Like many organic compounds, it's essential to handle hexyl 2-methylpropanoate with appropriate safety measures, as it can cause irritation upon contact with skin or eyes.

In summary, hexyl 2-methylpropanoate serves not just as a chemical compound but also as a versatile ingredient in everyday products, illustrating the profound connection between organic chemistry and daily life.

Synonyms
Hexyl isobutyrate
2349-07-7
Propanoic acid, 2-methyl-, hexyl ester
HEXYL 2-METHYLPROPANOATE
n-Hexyl isobutyrate
Hexyl isobutanoate
1-Hexyl isobutyrate
Isobutyric acid, hexyl ester
n-Hexyl isobutanoate
Hexyl 2-methylpropionate
FEMA No. 3172
Hexyl isobutyrate (natural)
NSC 46108
5FC79GHU69
DTXSID2047519
EINECS 219-075-8
NSC-46108
BRN 2075011
AI3-19791
DTXCID0027519
HEXYL ISOBUTYRATE [FHFI]
219-075-8
164183
Hexyl-2-methylpropionate
caproyl isobutyrate
MFCD00027297
n-Hexyl iso-butyrate
Benzyl-Penicillinic acid
(phenylmethyl)-Penicillin
UNII-5FC79GHU69
SCHEMBL534484
(phenylmethyl)-Penicillinic acid
CHEMBL3187477
CHEBI:179553
Hexyl isobutyrate, >=98%, FG
NSC46108
Tox21_302491
AKOS022185053
NCGC00256624-01
AS-12617
CAS-2349-07-7
DB-046161
NS00012611
Hexyl isobutyrate, natural (US), >=97%, FG
Q27261966