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Methyl hexanoate

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CAS:106-70-7

Methyl hexanoate manufacturers

  • Methyl hexanoate
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  • $1.50 / 1g
  • 2023-07-27
  • CAS:106-70-7
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Methyl hexanoate Basic information
Description References
Product Name:Methyl hexanoate
Synonyms:N-CAPROIC ACID METHYL ESTER;Caproic acid methyl ester Methyl caproate Hexanoic Acid Methyl Ester;METHYL HEXANOATE 99+% NATURAL;METHYL CAPROATE, STANDARD FOR GC;METHYL HEXANOATE 99+%;METHYL HEXANOATE OEKANAL;Caproicacidmethylester=Methylhexanoate;CAPROIC ACID METHYLESTER(SG)
CAS:106-70-7
MF:C7H14O2
MW:130.18
EINECS:203-425-1
Product Categories:Organics;Analytical Chemistry;Fatty Acid Methyl Esters (GC Standard);Standard Materials for GC
Mol File:106-70-7.mol
Methyl hexanoate Structure
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
Odorat 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon
Odor Typefruity
Water Solubility 1.325g/L(20 ºC)
JECFA Number1871
BRN 1744683
Dielectric constant4.7000000000000002
Stability:Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
LogP2.34
CAS DataBase Reference106-70-7(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, methyl ester(106-70-7)
EPA Substance Registry SystemMethyl hexanoate (106-70-7)
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
ToxicityLD50 orally in Rabbit: > 5000 mg/kg
MSDS Information
ProviderLanguage
Methyl hexanoate English
SigmaAldrich English
ACROS English
ALFA English
Methyl hexanoate Usage And Synthesis
DescriptionMethyl 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.
ReferencesArora, 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.
DescriptionMethyl 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 Propertiescolourless liquid
Chemical PropertiesMethyl hexanoate has an ether-like odor reminiscent of pineapple
OccurrenceReported 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.
UsesIntermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.
DefinitionChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid).
PreparationBy 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 valuesDetection: 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 DescriptionClear colorless liquid.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileMethyl 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 HazardMethyl hexanoate is combustible.
Flammability and ExplosibilityFlammable
Purification MethodsPass it through alumina and distil it before use. [Beilstein 2 IV 921.]
Tag:Methyl hexanoate(106-70-7) Related Product Information
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