Methyl hexanoate
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| Names | |
|---|---|
| Preferred IUPAC name
Methyl hexanoate | |
Other names
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| Identifiers | |
3D model (JSmol)
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| 1744683 | |
| ChEBI | |
| ECHA InfoCard | 100.003.115 |
| EC Number |
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PubChemCID
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| UNII | |
| UN number | 1993 |
CompTox Dashboard(EPA)
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| Properties[1] | |
| C7H14O2 | |
| Molar mass | 130.187g·mol−1 |
| 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) |
| 1.33 mg/mL at 20 °C | |
| Solubility | ethanol |
Refractive index(nD)
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1.4049 |
| Related compounds | |
Related compounds
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Ethyl hexanoate,Propyl hexanoate,Butyl hexanoate |
| Hazards | |
| GHSlabelling: | |
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| Warning | |
| H226 | |
| 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 theirstandard state(at 25 °C [77 °F], 100 kPa).
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Methyl hexanoateis thefatty acidmethylesterofhexanoic acid(caproic acid), a colourless liquidorganic compoundwith thechemical formulaCH3−(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 thecytoplasmof cells.[1]
Methyl hexanoate is produced industrially for use as aflavouring agent.[2][3]It can also be used asfragrancefor a pineapple smell.[4]
Production
[edit]Methyl hexanoate is produced in multi-tonne quantities for use as a flavouring agent.[3]It is made by combiningmethanolwithhexanoic acid.[citation needed]
Uses
[edit]Methyl hexanoate is found naturally in foods likepotatoes,tomatoesandcheeseand is a constituent of somealcoholic beverages.[2]It can be used to mimic theflavorofpineapplelike its related esterethyl hexanoate.[4]
Safety
[edit]TheLD50for rats is more than 5 g/kg,[1]indicating low toxicity. When heated to decomposition, methyl hexanoate emits toxic fumes. It can cause burns.
Flammability
[edit]Methyl hexanoate is flammable. It has a flash point of 163 °F (73 °C).[1]
See also
[edit]References
[edit]- ^abcd"Methyl hexanoate".PubChem.Retrieved12 August2020.
- ^abMaarse, Henk (29 March 1991).Volatile Compounds in Foods and Beverages.ISBN978-0824783907.
- ^ab"Methyl hexanoate – Substance Information".European Chemicals Agency.Retrieved12 August2020.
- ^ab"Methyl hexanoate".The Good Scents Company.Retrieved15 August2020.