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{{distinguish|2-methylbutyrate|3-methylbutyrate}} |
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{{Chembox |
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| verifiedrevid = 407239937 |
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| Reference=<ref>'']'', 13th Edition</ref> |
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| Watchedfields = changed |
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| Name = Methyl butyrate |
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| verifiedrevid = 447393311 |
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| ImageFile1 = |
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| Reference = <ref>'']'', 13th Edition</ref> |
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| ImageSize1 = 200px |
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| ImageName1 = Methyl butanoate |
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| Name = Methyl butyrate |
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| ImageFile2 = Methyl butyrate 3D.png |
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| ImageFile1 = Methyl butyrate-2D-by-AHRLS-2012.png |
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| ImageName1 = Methyl butanoate |
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| ImageSize2 = 200px |
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| ImageFile2 = Methyl butyrate 3D.png |
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| ImageName2 = Ball-and-stick model |
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| ImageName2 = Ball-and-stick model |
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| IUPACName = Methyl butanoate |
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| PIN = Methyl butanoate <!-- Nomenclature of Organic Chemistry – IUPAC Recommendations and Preferred Names 2013 (Blue Book) --> |
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| Section1 = {{Chembox Identifiers |
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| OtherNames = Butanoic acid methyl ester<br />Methyl butyrate<br />Butyric acid methyl ester |
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| CASNo_Ref = {{cascite}} |
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|Section1={{Chembox Identifiers |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo = 623-42-7 |
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| CASNo = 623-42-7 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| RTECS = ET5500000 |
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| SMILES = CCCC(=O)OC |
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| UNII = CGX598508O |
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| RTECS = ET5500000 |
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}} |
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| SMILES = CCCC(=O)OC |
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| Section2 = {{Chembox Properties |
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| EINECS = 210-792-1 |
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| Formula = C<sub>5</sub>H<sub>10</sub>O<sub>2</sub> |
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| PubChem = 12180 |
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| MolarMass = 102.13 g/mol |
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| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}} |
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| Appearance = Colourless liquid |
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| ChemSpiderID = 11680 |
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| Density = 898 kg/m³ |
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| InChI = 1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
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| Solubility = 1.5 g/100 mL (22 °C) |
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| InChIKey = UUIQMZJEGPQKFD-UHFFFAOYAW |
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| MeltingPt = -95 °C (178K) |
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| StdInChI_Ref = {{stdinchicite|changed|chemspider}} |
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| BoilingPt = 102 °C (375K) |
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| StdInChI = 1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
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| RefractIndex = 1.386 |
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| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}} |
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}} |
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| StdInChIKey = UUIQMZJEGPQKFD-UHFFFAOYSA-N |
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| Section7 = {{Chembox Hazards |
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| NFPA-H = 1 |
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| MeSHName = C043811 |
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}} |
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| NFPA-F = 3 |
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|Section2={{Chembox Properties |
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| NFPA-R = |
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| FlashPt = 12 °C |
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| C=5 | H=10 | O=2 |
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| Appearance = Colorless liquid |
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}} |
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| Density = 0.898 g/cm<sup>3</sup> |
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| Solubility = 1.5{{nbsp}}g/100{{nbsp}}mL (22{{nbsp}}°C) |
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| MeltingPtC = −95 |
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| BoilingPtC = 102 |
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| RefractIndex = 1.386 |
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| MagSus = −66.4×10<sup>−6</sup> cm<sup>3</sup>/mol |
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}} |
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|Section7={{Chembox Hazards |
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| NFPA-H = 1 |
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| NFPA-F = 3 |
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| NFPA-R = |
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| FlashPtC = 12 |
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}} |
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'''Methyl butyrate''', also known under the systematic name '''methyl butanoate''', is the ] ] of ]. Like most esters, it has a fruity ], in this case resembling ]s or ]s. At room temperature, it is a colourless liquid with low ] in water, upon which it floats to form an oily layer. Although it is ], it has a relatively low ] (40mm Hg at {{convert|30|C|F}}), so it can be safely handled at room temperature without special safety precautions.<ref>Aldrich Chemicals Handbook, Sigma-Aldrich Company, Milwaukee, (2007)</ref> |
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'''Methyl butyrate''', also known under the systematic name '''methyl butanoate''', is the ] ] of ]. Like most esters, it has a fruity ], in this case resembling ]s or ]s.<ref>, thegoodscentscompany.com</ref> At room temperature, it is a colorless liquid with low ] in water, upon which it floats to form an oily layer. Although it is ], it has a relatively low ] (40 mmHg at {{convert|30|C|F}}), so it can be safely handled at room temperature without special safety precautions.<ref>''Aldrich Chemicals Handbook'', ] Company, Milwaukee, (2007)</ref> |
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It is present in small amounts in several plant products, especially pineapple oil.<ref>{{cite journal | doi = 10.1021/jf60168a018 | title = Volatile components of Smooth Cayenne pineapple | year = 1970 | last1 = Flath | first1 = Robert A. | last2 = Forrey | first2 = R. R. | journal = Journal of Agricultural and Food Chemistry | volume = 18 | issue = 2 | pages = 306–309}}</ref> It can be produced by ] from ]s of vegetable origin, but is also manufactured on a small scale for use in ]<ref></ref> and as a food ]. |
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Methyl butyrate is present in small amounts in several plant products, especially pineapple oil.<ref>{{cite journal | doi = 10.1021/jf60168a018 | title = Volatile components of Smooth Cayenne pineapple | year = 1970 | last1 = Flath | first1 = Robert A. | last2 = Forrey | first2 = R. R. | journal = Journal of Agricultural and Food Chemistry | volume = 18 | issue = 2 | pages = 306–309}}</ref> It can be produced by ] from ]s of vegetable origin, but is also manufactured on a small scale for use in ]<ref> {{webarchive|url=https://web.archive.org/web/20080531123532/http://ec.europa.eu/enterprise/cosmetics/inci/fragalfm.htm |date=2008-05-31 }}</ref> and as a food ]. |
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Methyl butanoate has been used in combustion studies as a surrogate fuel for the larger fatty acid methyl esters found in ].<ref></ref> However, studies have shown that, due to its short-chain length, methyl butanoate does not reproduce well the ] (NTC) behaviour and early CO<sub>2</sub> formation characteristics of real biodiesel fuels. Therefore, methyl butanoate is not a suitable surrogate fuel for ] combustion studies.<ref> |
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Methyl butyrate has been used in combustion studies as a ] for the larger fatty acid methyl esters found in ].<ref> {{webarchive |url=https://web.archive.org/web/20060306144019/http://www.ingentaconnect.com/content/pep/ije/2004/00000005/00000004/art00002 |date=March 6, 2006 }}</ref> However, studies have shown that, due to its short-chain length, methyl butyrate does not reproduce well the ] (NTC) behaviour and early CO<sub>2</sub> formation characteristics of real biodiesel fuels. Therefore, methyl butyrate is not a suitable surrogate fuel for ] combustion studies.<ref>{{cite journal | doi = 10.1016/j.proci.2006.08.051 | title = A wide-ranging kinetic modeling study of methyl butanoate combustion | year = 2007 | last1 = Gaïl | first1 = S. | last2 = Thomson | first2 = M.J. | last3 = Sarathy | first3 = S.M. | last4 = Syed | first4 = S.A. | last5 = Dagaut | first5 = P. | last6 = Diévart | first6 = P. | last7 = Marchese | first7 = A.J. | last8 = Dryer | first8 = F.L. | journal = Proceedings of the Combustion Institute | volume = 31 | pages = 305–311}}</ref> |
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==References== |
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