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| | Methyl hexanoate Chemical Properties |
| Melting point | -71 °C (lit.) | | Boiling point | 151 °C (lit.) | | density | 0.885 g/mL at 25 °C (lit.) | | vapor pressure | 3.7 hPa (20 °C) | | FEMA | 2708 | METHYL HEXANOATE | | refractive index | n20/D 1.405 | | Fp | 113 °F | | storage temp. | Store below +30°C. | | solubility | chloroform: soluble100mg/mL, clear | | form | Liquid | | color | Colorless | | Odor | at 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon | | Odor Type | fruity | | biological source | synthetic | | Water Solubility | 1.325g/L(20 ºC) | | JECFA Number | 1871 | | BRN | 1744683 | | Dielectric constant | 4.7000000000000002 | | Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. | | LogP | 2.34 | | 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) |
| Risk Statements | 10 | | Safety Statements | 43-16-36/37/39-7 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 1 | | RTECS | MO8401400 | | TSCA | Yes | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29159080 | | Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
| | Methyl hexanoate Usage And Synthesis |
| Description | 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.
| | References | 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.
| | Description | 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. | | Chemical Properties | Methyl hexanoate has an ether-like odor reminiscent of pineapple | | Chemical Properties | colourless liquid | | Occurrence | 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. | | Uses | Intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants,
plasticizers, flavoring. | | Preparation | 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 | | Definition | ChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid). | | Aroma threshold values | Detection: 10 to 87 ppb | | Synthesis Reference(s) | 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 | | General Description | Clear colorless liquid. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | 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. | | Fire Hazard | Methyl hexanoate is combustible. | | Flammability and Explosibility | Flammable | | Synthesis |
Methyl caproate is synthesized by direct esterification of n-Caproic (n-Hexanoic) acid with Methanol, preferably under azeotropic conditions.
| | Purification Methods | Pass it through alumina and distil it before use. [Beilstein 2 IV 921.] |
| | Methyl hexanoate Preparation Products And Raw materials |
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