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Methyl hexanoate

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Methyl ester

Methyl hexanoate
Names
Preferred IUPAC name Methyl hexanoate
Other names
  • Methyl caproate
  • Methyl hexanate
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1744683
ChEBI
ECHA InfoCard 100.003.115 Edit this at Wikidata
EC Number
  • 203-425-1
PubChem CID
UNII
UN number 1993
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3Key: NUKZAGXMHTUAFE-UHFFFAOYSA-N
SMILES
  • CCCCCC(=O)OC
Properties
Chemical formula C7H14O2
Molar mass 130.187 g·mol
Density 0.8846
Melting point −71.0 °C (−95.8 °F; 202.2 K)
Boiling point 149.5 °C (301.1 °F; 422.6 K)
Solubility in water 1.33 mg/mL at 20 °C
Solubility ethanol
Refractive index (nD) 1.4049
Related compounds
Related compounds Ethyl hexanoate, Propyl hexanoate, Butyl hexanoate

Allyl hexanoate

Hazards
GHS labelling:
Pictograms GHS02: Flammable
Signal word Warning
Hazard statements H226
Precautionary statements P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Flash point 73 °C; 163 °F; 346 K
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Methyl hexanoate is the fatty acid methyl ester of hexanoic acid (caproic acid), a colourless liquid organic compound with the chemical formula CH3−(CH2)4−COO−CH3. It is found naturally in many foods and has a role as a plant metabolite. It can also be found in the cytoplasm of cells.

Methyl hexanoate is produced industrially for use as a flavouring agent. It can also be used as fragrance for a pineapple smell.

Production

Methyl hexanoate is produced in multi-tonne quantities for use as a flavouring agent. It is made by combining methanol with hexanoic acid.

Uses

Methyl hexanoate is found naturally in foods like potatoes, tomatoes and cheese and is a constituent of some alcoholic beverages. It can be used to mimic the flavor of pineapple like its related ester ethyl hexanoate.

Safety

The LD50 for rats is more than 5 g/kg, indicating low toxicity. When heated to decomposition, methyl hexanoate emits toxic fumes. It can cause burns.

Flammability

Methyl hexanoate is flammable. It has a flash point of 163 °F (73 °C).

See also

References

  1. ^ "Methyl hexanoate". PubChem. Retrieved 12 August 2020.
  2. ^ Maarse, Henk (29 March 1991). Volatile Compounds in Foods and Beverages. ISBN 978-0824783907.
  3. ^ "Methyl hexanoate – Substance Information". European Chemicals Agency. Retrieved 12 August 2020.
  4. ^ "Methyl hexanoate". The Good Scents Company. Retrieved 15 August 2020.
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