Methyl hexanoate Chemical Properties
- Melting point:
- −71 °C(lit.)
- Boiling point:
- 151 °C(lit.)
- 0.885 g/mL at 25 °C(lit.)
- vapor pressure
- 3.7 hPa (20 °C)
- refractive index
- 2708 | METHYL HEXANOATE
- Flash point:
- 113 °F
- storage temp.
- chloroform: soluble100mg/mL, clear
- Water Solubility
- 1.325g/L(20 ºC)
- JECFA Number
- Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
- CAS DataBase Reference
- 106-70-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Hexanoic acid, methyl ester(106-70-7)
- EPA Substance Registry System
- Methyl hexanoate (106-70-7)
Methyl hexanoate Usage And Synthesis
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.
Arora, D. K., A. P. Hansen, and M. S. Armagost. "Sorption of flavor compounds by low density polyethylene film." Journal of food science 56.5 (1991): 1421-1423.
Wohlfarth, Ch. "Refractive index of methyl hexanoate." Refractive Indices of Pure Liquids and Binary Liquid Mixtures (Supplement to III/38). Springer Berlin Heidelberg, 2008. 414-414.
Glaude, Pierre Alexandre, et al. "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 (2010): 2035-2050.
Methyl hexanoate has an ether-like odor reminiscent of pineapple. May be prepared by reacting methyl alcohol with hexanoic acid at 130 - 140°C in the presence of concentrated H2S04 and distilling the ester from the reaction mixture.
Methyl hexanoate has an ether-like odor reminiscent of pineapple
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.
Intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.
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
ChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid).
Aroma threshold values
Detection: 10 to 87 ppb
Clear colorless liquid.
Air & Water Reactions
Insoluble in water.
Methyl hexanoate 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. Methyl hexanoate reacts with strong oxidizing agents and strong bases.
Methyl hexanoate is combustible.
Pass it through alumina and distil it before use. [Beilstein 2 IV 921.]
- 7-CHLOROCARBONYL-HEPTANOIC ACID ETHYL ESTER
- ETHYL CYCLOHEXANEPROPIONATE
- Ethyl 6-bromohexanoate
- Ethyl 2-bromoheptanoate
- Dimethyl 1,4-cyclohexanedicarboxylate
- Methyl hexanoate
- Ethyl Hexanoate
- Hexyl hexanoate
- 6-Aminocaproic acid
- METSULFURON METHYL
- Allyl hexanoate
- Tribenuron methyl
- Methyl acetate
- Methyl salicylate
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