106-70-7

Clear colorless liquid.

METHYL CAPROATE(106-70-7) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound reacts with strong oxidizing agents and strong bases.

Insoluble in water.

This chemical is combustible.

Methyl hexanoate is the methyl ester form of hexanoate with fruity type odor and flavor. It is formed by the esterification between methanol and hexanoate. It can be found in many sources such as wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Its major application is used as cosmetic, flavor and fragrance agents.

Methyl hexanoate is a colourless liquid with an ether-like odour reminiscent of pineapple. It is soluble in ethanol and diethyl ether, but insoluble in water. It occurs naturally in pineapples and other plants.

Reported found in pineapple, apple, apricot, orange juice, black currants, guava, grapes, melon, papaya, pineapple, raspberry, blackberry, strawberry, potato, tomato, pepper, rye bread, cheeses, butter, milk, beef mutton, hop oil, beer, grape wine, cider, coffee, tea, honey, cloudberry, durian (Durio zibethinus), olive, passion fruit, plumcot, mushroom, starfruit, mango, wood apple, licorice, soursop, cashew apple, wort, cherimoya, kiwifruit, babaco fruit (Carica pentagona Heilborn), Bourbon vanilla, mountain papaya, oyster, custard apple, nectarine, naranjilla, lamb’s lettuce, loganberry, cape gooseberry, spineless monkey orange, Chinese quince and pawpaw.

ChEBI: Methyl hexanoate is a fatty acid methyl ester derived from hexanoic (caproic acid). It has a role as a flavouring agent and a plant metabolite. It is a fatty acid methyl ester and a hexanoate ester.

By reacting methyl alcohol with hexanoic acid at 130 to 140°C in the presence of concentrated H2SO4 and distilling the ester from the reaction mixture

Detection: 10 to 87 ppb

Tetrahedron, 35, p. 2169, 1979 DOI: 10.1016/0040-4020(79)87035-0
Tetrahedron Letters, 30, p. 2945, 1989 DOI: 10.1016/S0040-4039(00)99165-2

Flammable(100%)

Methyl caproate is synthesized by direct esterification of n-Caproic (n-Hexanoic) acid with Methanol, preferably under azeotropic conditions.

Pass it through alumina and distil it before use. [Beilstein 2 IV 921.]

[1] ARORA, D. K., HANSEN, A. P., & ARMAGOST, M. S. (1991). Sorption of Flavor Compounds by Low Density Polyethylene Film. Journal of Food Science, 56 5, 1421–1423. https://doi.org/10.1111/j.1365-2621.1991.tb04788.x 
[2] Lechner, M. (2008). Refractive Indices of Pure Liquids and Binary Liquid Mixtures (Supplement to III/38). 0. https://doi.org/10.1007/978-3-540-75291-2 
[3] Glaude, P. A., Herbinet, O., Bax, S., Biet, J., Warth, V., & Battin-Leclerc, F. (2010). Modeling of the oxidation of methyl esters—Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor. Combustion and Flame, 157 11, Pages 2035-2050. https://doi.org/10.1016/j.combustflame.2010.03.012