Methyl butyrate
| Methyl butyrate[1] | ||
|---|---|---|
 | ||
 | ||
| IUPAC name Methyl butanoate | ||
| Other names Butyric acid methyl ester | ||
| Identifiers | ||
| CAS number | 623-42-7  | |
| RTECS number | ET5500000 | |
| Jmol-3D images | Image 1 | |
| ||
| Properties | ||
| Molecular formula | C5H10O2 | |
| Molar mass | 102.13 g mol−1 | |
| Appearance | Colorless liquid | |
| Density | 0.898 g/cm3 | |
| Melting point | −95 °C; −139 °F; 178 K | |
| Boiling point | 102 °C; 216 °F; 375 K | |
| Solubility in water | 1.5 g/100 mL (22 °C) | |
| Refractive index (nD) | 1.386 | |
| Hazards | ||
| NFPA 704 |
 3
1
0
| |
| Flash point | 12 °C; 54 °F; 285 K | |
(verify) (what is: / ?)Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 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 odor, in this case resembling apples or pineapples.[2] At room temperature, it is a colorless liquid with low solubility in water, upon which it floats to form an oily layer. Although it is flammable, it has a relatively low vapor pressure (40 mmHg at 30 °C (86 °F)), so it can be safely handled at room temperature without special safety precautions.[3]
Methyl butyrate is present in small amounts in several plant products, especially pineapple oil.[4] It can be produced by distillation from essential oils of vegetable origin, but is also manufactured on a small scale for use in perfumes[5] and as a food flavoring.
Methyl butyrate has been used in combustion studies as a surrogate fuel for the larger fatty acid methyl esters found in biodiesel.[6] However, studies have shown that, due to its short-chain length, methyl butyrate does not reproduce well the negative temperature coefficient (NTC) behaviour and early CO2 formation characteristics of real biodiesel fuels. Therefore, methyl butyrate is not a suitable surrogate fuel for biodiesel combustion studies.[7]
References
- ↑ Merck Index, 13th Edition
- ↑ Methyl butyrate, thegoodscentscompany.com
- ↑ 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
- ↑ Gaïl, S.; Thomson, M.J.; Sarathy, S.M.; Syed, S.A.; Dagaut, P.; Diévart, P.; Marchese, A.J.; Dryer, F.L. (2007). "A wide-ranging kinetic modeling study of methyl butanoate combustion". Proceedings of the Combustion Institute 31: 305. doi:10.1016/j.proci.2006.08.051.