Methyl butyrate
| Methyl butyrate[1] | |
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Methyl butanoate |
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Other names
Butyric acid methyl ester |
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| Identifiers | |
| CAS number | 623-42-7  |
| RTECS number | ET5500000 |
| Jmol-3D images | Image 1 |
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| Properties | |
| Molecular formula | C5H10O2 |
| Molar mass | 102.13 g mol−1 |
| Appearance | Colorless liquid |
| Density | 0.898 g/cm3 |
| Melting point |
-95 °C, 178 K, -139 °F |
| Boiling point |
102 °C, 375 K, 216 °F |
| Solubility in water | 1.5 g/100 mL (22 °C) |
| Refractive index (nD) | 1.386 |
| Hazards | |
| NFPA 704 |
 3
1
0
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| Flash point | 12 °C (54 °F) |
 (verify) (what is:  / ?)Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) |
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| 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][dead link] 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]
[edit] 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.
