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isopentyl benzoate

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Identification
Molecular formula
C12H16O2
CAS number
94-46-2
IUPAC name
isopentyl benzoate
State
State

Isopentyl benzoate is typically a liquid at room temperature. Its oil-like consistency makes it suitable for applications as an emollient in personal care products.

Melting point (Celsius)
-51.80
Melting point (Kelvin)
221.35
Boiling point (Celsius)
241.60
Boiling point (Kelvin)
514.75
General information
Molecular weight
178.24g/mol
Molar mass
178.2430g/mol
Density
0.9981g/cm3
Appearence

Isopentyl benzoate is a colorless, oily liquid. It is known for its pleasant fruity aroma, commonly associated with apple or pear-like fragrance, which makes it useful in perfumery and as a flavoring agent in food.

Comment on solubility

Solubility of Isopentyl Benzoate

Isopentyl benzoate, with the chemical formula C11H14O2, is a fascinating compound with unique solubility characteristics. Understanding its solubility can be crucial for applications in various fields, such as chemistry and food science.

Solubility Characteristics:

  • Polar vs. Non-Polar: Isopentyl benzoate is considered a non-polar compound, which influences its solubility in different solvents.
  • Aqueous Solubility: It has low solubility in water due to its hydrophobic structure. This makes it unlikely to dissolve significantly in polar solvents.
  • Organic Solubility: Conversely, it is *highly soluble* in organic solvents such as:
    • Ether
    • Chloroform
    • Alcohol

This solubility profile indicates that isopentyl benzoate can be utilized effectively in organic reactions and extractions. Remember, the *temperature* and the *presence of other solutes* can further influence the solubility behavior of this compound, as with many other organic materials.

When considering its uses in formulations, it is important to note that due to its *low polarity*, it may not mix well with water-based solutions, which can be a fundamental aspect in designing products that require specific solubility properties.

Interesting facts

Interesting Facts about Isopentyl Benzoate

Isopentyl benzoate, also known as isoamyl benzoate, is an intriguing ester that has gained attention for its diverse applications in various fields. Here are some fascinating aspects of this compound:

  • Chemical Structure: Isopentyl benzoate is formed from the esterification of benzoic acid and isopentanol. This structure is responsible for its distinctive properties and aroma.
  • Fragrance Industry: This compound is widely used in the fragrance industry. Its sweet, fruity scent makes it a popular choice for perfumes, soaps, and other scented products.
  • Flavoring Agent: Beyond just fragrance, isopentyl benzoate is also utilized as a flavoring agent in food products. It enhances the taste and provides a pleasant aroma to various consumables.
  • Toxicological Safety: Studies have shown that isopentyl benzoate has a relatively low toxicity profile, making it suitable for both cosmetic and food applications. Nevertheless, it's essential to use this compound wisely and follow safety guidelines.
  • Natural Occurrence: Interestingly, isopentyl benzoate can be found naturally in some fruits, contributing to their characteristic flavors and fragrances.
  • Applications in Organic Synthesis: In the laboratory, isopentyl benzoate can be utilized as a solvent or reagent in various organic reactions, showcasing its versatility in chemical research.

In summary, isopentyl benzoate presents a unique blend of characteristics that appeal not only to chemists but also to those involved in the fragrance and food industries. Its dual role as an aromatic compound and a flavoring agent exemplifies the diverse applications of esters in everyday life.

Synonyms
Isoamyl benzoate
Isopentyl benzoate
94-46-2
3-Methylbutyl benzoate
Isopentyl alcohol, benzoate
1-Butanol, 3-methyl-, benzoate
Benzoic acid isoamyl ester
1-(3-Methyl)butyl benzoate
3-Methyl-1-butyl benzoate
BENZOIC ACID, ISOPENTYL ESTER
Benzoic acid, 1-(3-methyl)butyl ester
FEMA No. 2058
Isoamyl benzoate (natural)
NSC 9284
Isoamyl-benzoate
Benzoic acid, 3-methylbutyl ester
1-Butanol, 3-methyl-, 1-benzoate
EINECS 202-334-4
BRN 1946447
0AY72CK43K
DTXSID8047185
benzoic acid 3-methylbutyl ester
AI3-01966
NSC-9284
MFCD00026515
Isopentyl alcohol, benzoate (6CI,8CI)
ISOAMYL BENZOATE [MI]
ISOAMYL BENZOATE [FCC]
ISOAMYL BENZOATE [FHFI]
Isoamylbenzoate
DTXCID6027185
54846-63-8
UNII-0AY72CK43K
so-Amyl benzoate
iso-amyl benzoate
1-Butanol, benzoate
SCHEMBL132524
WLN: 1Y1&2OVR
CHEMBL2260711
FEMA 2058
NSC9284
CHEBI:179910
AAA09446
Benzoic acid-(3-methylbutyl) ester
Tox21_302461
BBL011533
STL146651
AKOS005720808
Isoamyl benzoate, >=98%, FCC, FG
CAS-94-46-2
NCGC00256869-01
AC-18094
AS-57016
SY033445
DB-220786
B0071
CS-0154227
NS00012652
BENZOIC ACID 1-(3-METHYL)BUTYL ESTER
E75850
Q27236554
202-334-4