2198-61-0 Usage
Description
Isopentyl hexanoate, also known as isoamyl hexanoate, is a synthetic flavoring agent characterized by its stable, colorless liquid form and a fruity odor. It is soluble in alcohol, fixed oils, and mineral oil, and is prepared by esterification of caproic acid with isomeric amyl alcohols derived from sources such as fusel oil. Isopentyl hexanoate has a chemical structure defined by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol). It is known for its apple, pineapple, fruity, green, and sweet odor.
Uses
Used in Flavor Industry:
Isopentyl hexanoate is used as a flavoring agent for its fruity, green, and pineapple-like taste with a waxy nuance. It is particularly suitable for fruit flavors such as banana and pineapple, and is commonly utilized in the production of desserts, candy, and ice cream. The taste threshold values for this compound are between 4-22 ppm.
Used in Food Industry:
Isopentyl hexanoate is also used in the food industry to enhance the flavor of various products, taking advantage of its pleasant fruity and green apple aroma. It can be found in the rind of California orange, apple, apricot, banana, grapefruit peel, grapes, pineapple, strawberry, cheeses, beer, cognac, rum, whiskies, sherry, grape wines, passion fruit, plum, brandy (plum, pear, and apple), strawberry and bilberry wine, cherimoya, and mastic gum leaf and fruit oil.
Used in Cosmetics and Fragrance Industry:
Due to its appealing fruity and green apple scent, Isopentyl hexanoate can also be used in the cosmetics and fragrance industry as a component in the formulation of perfumes, colognes, and other scented products. Its ability to provide a fresh and fruity aroma makes it a valuable addition to the fragrance profiles of various products.
Used in Storage:
Isopentyl hexanoate should be stored in appropriate containers to maintain its stability and quality. It is recommended to store this compound in glass, tin, or resin-lined containers to prevent any potential degradation or contamination.
Preparation
By esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Check Digit Verification of cas no
The CAS Registry Mumber 2198-61-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,9 and 8 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 2198-61:
(6*2)+(5*1)+(4*9)+(3*8)+(2*6)+(1*1)=90
90 % 10 = 0
So 2198-61-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
2198-61-0Relevant articles and documents
Lipase-catalyzed synthesis of ethyl hexanoate in microemulsion system
Tan, Zhongqin,Han, Xiaoxiang,Hu, Xiaoli,Du, Huan,Bao, Xiuxiu
, p. 9675 - 9678 (2014/01/06)
This paper studied lipase-catalyzed synthesis of ethyl hexanoate in dodecylbenzenesulfonic acid/isooctane/water microemulsion system. The effect of several parameters, such as w0 ([H2O]/[surfactant]) value, reaction time, reaction temperature, oil phase solvent, buffer solution pH value of microemulsion system on the esterification have been investigated. The results showed that the best experimental conditions for catalytic synthesis ethyl hexanoate were as follows: w0 = 4, reaction time 4 h, reaction temperature 40 °C, buffer solution pH 7. Under these conditions, the conversion of ethyl hexanoate can reach 98.5 %. Lipase-catalyzed synthesis of ethyl hexanoate in dodecylbenzenesulfonic acid inverse microemulsion system has triple mechanism, namely acid catalyzes, microemulsion catalyzes and enzyme catalyzes.
