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Methyl hexanoate

Basic information Description References Safety Related Supplier

Methyl hexanoate Basic information

Product Name:
Methyl hexanoate
CAS:
106-70-7
MF:
C7H14O2
MW:
130.18
EINECS:
203-425-1
Mol File:
106-70-7.mol
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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)
refractive index 
n20/D 1.405
FEMA 
2708 | METHYL HEXANOATE
Flash point:
113 °F
storage temp. 
−20°C
solubility 
chloroform: soluble100mg/mL, clear
form 
Liquid
Water Solubility 
1.325g/L(20 ºC)
JECFA Number
1871
BRN 
1744683
Stability:
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)
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Safety Information

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

MSDS

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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

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.

Purification Methods

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

Methyl hexanoate Preparation Products And Raw materials

Raw materials

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Methyl hexanoateSupplierMore

J & K SCIENTIFIC LTD.
Tel:
010-82848833- ;010-82848833-
Email:
jkinfo@jkchemical.com;market6@jkchemical.com
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel:
21-61259100-
Email:
sh@meryer.com
Alfa Aesar
Tel:
400-610-6006; 021-67582000
Email:
saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
Tel:
021-67121386 / 800-988-0390
Email:
Sales-CN@TCIchemicals.com
Energy Chemical
Tel:
021-58432009
Email:
sales8178@energy-chemical.com
Basic information Description References Safety Related Supplier