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Butanoic acid, 3-methyl-, 2-phenylethyl ester


Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1491.Asuming, Beauchamp, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillarySE-541490.Adams, 200030. m/0.26 mm/0.25 «mu»m, 3. K/min; Tstart: 60. C; Tend: 246. C

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySupelcowax-101955.Wong and Teng, 1994He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCarbowax 20M1961.Tressl, Friese, et al., 1978He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 70. C; Tend: 190. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-11463.Paolini, Muselli, et al., 200760. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryHP-5MS1488.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-11448.Dob T., Berramdane T., et al., 200530. m/0.32 mm/0.25 «mu»m, N2, 50. C @ 3. min, 2. K/min, 260. C @ 5. min
CapillaryRTX-11463.Paolini, Costa, et al., 200560. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryHP-5MS1489.Grujic-Jovanovic, Skaltsa, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillarySPB-51489.Pino, Marbot, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-51491.Macchioni, Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51490.Macchioni, Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBP-11466.Rezzi, Bighelli, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryCP Sil 5 CB1469.Montanarella, Bos, et al., 1986N2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 295. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-51490.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1954.Paolini, Muselli, et al., 200760. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryRTX-Wax1964.Paolini, Costa, et al., 200560. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-201980.Rezzi, Bighelli, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11468.Audino, Alzogaray, et al., 2007He, 50. C @ 2. min, 6. K/min, 220. C @ 20. min; Column length: 30. m; Phase thickness: 0.25 «mu»m
CapillaryHP-51490.Pavlovic, Petrovic, et al., 200725. m/0.32 mm/0.52 «mu»m, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51494.7Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryHP-5MS1499.Petrakis, Roussis, et al., 20053. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 280. C
CapillaryOV-1011459.Camciuc, Bessière, et al., 199850. m/0.22 mm/1. «mu»m, He, 100. C @ 1. min, 1. K/min; Tend: 220. C
CapillaryCP Sil 5 CB1457.Bos, Woerdenbag, et al., 199725. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 290. C
CapillaryCP Sil 5 CB1457.Bos, Woerdenbag, et al., 199725. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 290. C
CapillaryDB-11465.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C
CapillaryDB-11468.Shiota, 199330. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min; Tend: 240. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1490.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1494.Robinson, Adams, et al., 2012Program: not specified
CapillaryHP-51487.Pavlovic, Petrovic, et al., 200725. m/0.32 mm/0.52 «mu»m, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1489.Pino, Marbot, et al., 2005Program: not specified
CapillaryDB-5MS1488.Maia, Andrade, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 2C/min => 60C => 4C/min => 260C
CapillarySE-301474.Vinogradov, 2004Program: not specified
CapillaryHP-11508.Nogueira and Romano, 200230. m/0.32 mm/0.25 «mu»m, He; Program: 40C(3min) => 5C/min => 180C => 15C/min => 240C(15min)
CapillaryDB-51495.Petrakis, Tsitsimpikou, et al., 2001Program: not specified
CapillaryHP-51482.Usubillaga, Aparicio, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1983.Audino, Alzogaray, et al., 2007He, 50. C @ 2. min, 6. K/min, 220. C @ 20. min; Column length: 30. m; Phase thickness: 0.32 «mu»m
CapillaryDB-Wax1980.Kishimoto, Wanikawa, et al., 200615. m/0.32 mm/0.25 «mu»m, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C
CapillaryDB-Wax1986.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-101955.Wong and Lai, 199660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 3. min, 3. K/min, 200. C @ 30. min
CapillaryCarbowax 20M1927.Kawakami, Ganguly, et al., 199560. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1955.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax1992.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C

References

Go To: Top, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Adams, 2000
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Wong and Teng, 1994
Wong, K.C.; Teng, Y.E., Volatile Components of Mimusops elengi L. Flowers, J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425 . [all data]

Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H., Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer, J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Dob T., Berramdane T., et al., 2005
Dob T.; Berramdane T.; Chelghoum C., Analysis of essential oil from the needles of Pinus pinaster growing in Algeria, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 5, 545-548, https://doi.org/10.1007/s10600-005-0202-z . [all data]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M., Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy, Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178 . [all data]

Rezzi, Bighelli, et al., 2001
Rezzi, S.; Bighelli, A.; Mouillot, D.; Casanova, J., Composition and chemical variability of the needle essential oil of Pinus nigra subsp. laricio from corsica, Flavour Fragr. J., 2001, 16, 5, 379-383, https://doi.org/10.1002/ffj.1018 . [all data]

Montanarella, Bos, et al., 1986
Montanarella, L.; Bos, R.; Fischer, F.C., The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves, Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E., Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds, Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2 . [all data]

Pavlovic, Petrovic, et al., 2007
Pavlovic, M.; Petrovic, S.; Ristic, M.; Maksimovic, Z.; Kovacevic, N., Essential oil of filipendula hexapetala, Chem. Natural Compounds, 2007, 43, 2, 228-229, https://doi.org/10.1007/s10600-007-0088-z . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C., The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa, Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008 . [all data]

Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A., Volatile components in okra seed coat, Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8 . [all data]

Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C., Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC, Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4 . [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.), Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Nogueira and Romano, 2002
Nogueira, J.M.F.; Romano, A., Essential oils from micropropagated plants of Lavandula viridis, Phytochem. Anal., 2002, 13, 1, 4-7, https://doi.org/10.1002/pca.609 . [all data]

Petrakis, Tsitsimpikou, et al., 2001
Petrakis, P.V.; Tsitsimpikou, C.; Tzakou, O.; Couladis, M.; Vagias, C.; Roussis, V., Needle volatiles from five Pinus species growing in Greece, Flavour Fragr. J., 2001, 16, 4, 249-252, https://doi.org/10.1002/ffj.990 . [all data]

Usubillaga, Aparicio, et al., 2001
Usubillaga, A.; Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N., Volatile constituents from the leaves of four Libanothamus species from the Venezuelan Andes, Flavour Fragr. J., 2001, 16, 3, 209-211, https://doi.org/10.1002/ffj.981 . [all data]

Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K., Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties, J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c . [all data]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Wong and Lai, 1996
Wong, K.C.; Lai, F.Y., Volatile constituents from the fruits of four Syzygium species grown in Malaysia, Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1 . [all data]

Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [all data]

Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N., Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone, Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977 . [all data]


Notes

Go To: Top, Gas Chromatography, References