| Identification | More | [Name]
Methyl hexanoate | [CAS]
106-70-7 | [Synonyms]
C6:0 METHYL ESTER
CAPROIC ACID METHYL ESTER
FEMA 2708
HEXANOIC ACID METHYL ESTER
METHYL AMYL ACETATE
METHYL CAPROATE
METHYL CAPRONATE
METHYL HEXANOATE
METHYL HEXOATE
METHYL N-CAPROATE
METHYL N-HEXANOATE
N-CAPROIC ACID METHYL ESTER
RARECHEM AL BF 0164
Methyl ester of hexanoic acid
Methyl hexylate
Methyl n-hexoate
methylhexylate
METHYL HEXANOATE 99+% NATURAL
METHYL CAPROATE, STANDARD FOR GC
METHYL HEXANOATE 99+% | [EINECS(EC#)]
203-425-1 | [Molecular Formula]
C7H14O2 | [MDL Number]
MFCD00009510 | [Molecular Weight]
130.18 | [MOL File]
106-70-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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 | [refractive index ]
n20/D 1.405
| [Fp ]
113 °F
| [storage temp. ]
−20°C | [solubility ]
chloroform: soluble100mg/mL, clear | [form ]
Liquid | [color ]
Colorless | [Odor]
at 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon | [Stability:]
Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. | [Odor Type]
fruity | [Water Solubility ]
1.325g/L(20 ºC) | [JECFA Number]
1871 | [BRN ]
1744683 | [Dielectric constant]
4.7000000000000002 | [LogP]
2.34 | [Uses]
Intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants,
plasticizers, flavoring. | [CAS DataBase Reference]
106-70-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanoic acid, methyl ester(106-70-7) | [EPA Substance Registry System]
106-70-7(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S16:Keep away from sources of ignition-No smoking . | [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 |
| Hazard Information | Back Directory | [General Description]
Clear colorless liquid. | [Reactivity Profile]
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. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
colourless liquid | [Chemical Properties]
Methyl hexanoate has an ether-like odor reminiscent of pineapple | [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. | [Definition]
ChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid). | [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 | [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 | [Flammability and Explosibility]
Flammable(100%) | [Purification Methods]
Pass it through alumina and distil it before use. [Beilstein 2 IV 921.] |
| Questions And Answer | Back Directory | [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.
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