- Methyl butyrate
-
Methyl butyrate[1] 
Methyl butanoateIdentifiers CAS number 623-42-7 
RTECS number ET5500000 Jmol-3D images Image 1 - CCCC(=O)OC
Properties Molecular formula C5H10O2 Molar mass 102.13 g/mol Appearance Colourless liquid Density 898 kg/m³ Melting point -95 °C (178K)
Boiling point 102 °C (375K)
Solubility in water 1.5 g/100 mL (22 °C) Refractive index (nD) 1.386 Hazards NFPA 704 
310Flash point 12 °C 
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)Infobox references Methyl butyrate, also known under the systematic name methyl butanoate, is the methyl ester of butyric acid. Like most esters, it has a fruity odour, in this case resembling apples or pineapples. At room temperature, it is a colourless liquid with low solubility in water, upon which it floats to form an oily layer. Although it is flammable, it has a relatively low vapour pressure (40mm Hg at 30 °C (86 °F)), so it can be safely handled at room temperature without special safety precautions.[2]
It is present in small amounts in several plant products, especially pineapple oil.[3] It can be produced by distillation from essential oils of vegetable origin, but is also manufactured on a small scale for use in perfumes[4] and as a food flavouring.
Methyl butanoate has been used in combustion studies as a surrogate fuel for the larger fatty acid methyl esters found in biodiesel.[5] However, studies have shown that, due to its short-chain length, methyl butanoate does not reproduce well the negative temperature coefficient (NTC) behaviour and early CO2 formation characteristics of real biodiesel fuels. Therefore, methyl butanoate is not a suitable surrogate fuel for biodiesel combustion studies.[6]
References
- ^ Merck Index, 13th Edition
- ^ Aldrich Chemicals Handbook, Sigma-Aldrich Company, Milwaukee, (2007)
- ^ Flath, Robert A.; Forrey, R. R. (1970). "Volatile components of Smooth Cayenne pineapple". Journal of Agricultural and Food Chemistry 18 (2): 306–309. doi:10.1021/jf60168a018.
- ^ Use of methyl butyrate as an additive in perfume
- ^ Methyl butyrate as a component of biodiesel
- ^ A wide-ranging kinetic modeling study of methyl butanoate combustion
Categories:- Methyl esters
- Butyrates
- Perfume ingredients
- Flavors
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