Ethanone, 1-(2-pyridinyl)-

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Phase change data

Go To: Top, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil461.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil465.2KN/AWeast and Grasselli, 1989BS
Tboil465.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Δvap60.5 ± 0.3kJ/molCFreitas, Oliveira, et al., 2007AC

Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.9PEModelli and Distefano, 1981LLK
9.35PEModelli and Distefano, 1981Vertical value; LLK

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References, Notes

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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101110.999.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 μm, He

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M150.1608.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 μm, He

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1618.N/AHe, 70. C @ 25. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 170. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51057.Ames, Guy, et al., 200150. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryDB-11001.Kim, 200160. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C
CapillaryHP-11026.Oh, Hartman, et al., 199250. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 10. min; Tstart: 40. C
CapillaryDB-11026.Izzo and Ho, 199150. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51050.Bredie, Mottram, et al., 199850. m/0.32 mm/0.5 μm, He; Program: OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101608.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101608.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1590.Kim, 200160. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1586.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryPEG-20M1603.Shimoda, Nakada, et al., 199760. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1603.Shimoda, Shiratsuchi, et al., 199660. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryCP-WAX 57CB1597.Salter L.J., Mottram D.S., et al., 198860. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1602.Hallier, Prost, et al., 200530. m/0.32 mm/0.5 μm, He; Program: 40C(5min) => 10C/min => 160C => 15C/min => 230C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1030.Kim and Chung, 200930. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryUltra-1998.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C
CapillaryHP-51034.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C
CapillarySLB-5MS1045.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C
CapillaryHP-51034.8Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryDB-5MS1046.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryHP-51036.Boylston and Viniyard, 199850. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
CapillaryDB-11018.Chen and Ho, 199860. m/0.32 mm/1.0 μm, He, 3. K/min; Tstart: 40. C; Tend: 260. C
CapillaryOV-1011005.Roberts and Acree, 199412. m/0.32 mm/0.52 μm, 35. C @ 3. min, 4. K/min; Tend: 225. C
CapillaryOV-1011014.Egolf and Jurs, 19932. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-1991.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1993.Ishihara, Tsuneya, et al., 199260. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryDB-1998.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1998.Flath, Matsumoto, et al., 198960. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryMethyl Silicone1010.Lorenz, Stern, et al., 19834. K/min, 200. C @ 15. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 50. C
CapillaryMethyl Silicone1011.Lorenz, Stern, et al., 19834. K/min, 200. C @ 15. min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 50. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5MS1032.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 μm, Helium; Program: not specified
CapillarySE-541031.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillarySE-301014.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1587.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 10. K/min, 250. C @ 6. min; Tstart: 50. C
CapillaryHP-FFAP1615.Qian and Reineccius, 200225. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
CapillaryDB-Wax1597.Buttery and Ling, 199830. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryPEG-20M1599.Kubota, Matsujage, et al., 199650. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 60. C; Tend: 180. C
CapillaryCarbowax 20M1600.Egolf and Jurs, 19932. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryDB-Wax1567.Hatsuko, Kazuko, et al., 1992He, 60. C @ 10. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryCarbowax 20M1580.Vernin, Metzger, et al., 1992He, 3. K/min; Column length: 50. m; Column diameter: 0.33 mm; Tstart: 60. C; Tend: 200. C
CapillaryDB-Wax1587.Wong and Bernhard, 1988He, 70. C @ 8. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 160. C
PackedCarbowax1590.Schieberle and Grosch, 1983He, Chromosorb G AW DMCS, 4. K/min; Column length: 3. m; Tstart: 60. C; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP1552.Lasekan, Buettner, et al., 200730. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
CapillaryHP-Innowax1618.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryHP-Innowax1599.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: not specified
CapillaryCarbowax 20M1600.Vinogradov, 2004Program: not specified
CapillaryDB-Wax1560.Hatsuko, Kazuko, et al., 1992He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryCarbowax1585.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1585.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1586.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1587.Baltes and Bochmann, 1987Program: not specified
CapillaryCarbowax1588.Baltes and Bochmann, 1987Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Freitas, Oliveira, et al., 2007
Freitas, Vera L.S.; Oliveira, Liliana I.P.; Ribeiro da Silva, Maria D.M.C., Standard molar enthalpies of formation of the acetylpyridine isomers, The Journal of Chemical Thermodynamics, 2007, 39, 1, 39-43, https://doi.org/10.1016/j.jct.2006.06.004 . [all data]

Modelli and Distefano, 1981
Modelli, A.; Distefano, G., He(I) photoelectron spectra of chloro-, vinyl- and acetyl-pyridines, J. Electron Spectrosc. Relat. Phenom., 1981, 23, 323. [all data]

Terenina, Zhuravieva, et al., 1997
Terenina, M.B.; Zhuravieva, I.L.; Golovnya, R.V., Peculiar features of sorption of positional isomers of formyl-, acetyl-, and aminopyridines in capillary gas-liquid chromatography, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 1, 86-89, https://doi.org/10.1007/BF02495353 . [all data]

Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems, J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m . [all data]

Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]

Oh, Hartman, et al., 1992
Oh, Y.-C.; Hartman, T.G.; Ho, C.-T., Volatile compounds generated from the Maillard reaction of pro-gly, gly-pro, and a mixture of glycine and proline with glucose, J. Agric. Food Chem., 1992, 40, 10, 1878-1880, https://doi.org/10.1021/jf00022a030 . [all data]

Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T., Isolation and identification of the volatile components of an extruded autolyzed yeast extract, J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029 . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R., Aroma components of cooked tail meat of American lobster (Homarus americanus), J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t . [all data]

Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield, Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid, J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211 . [all data]

Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T., Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish), J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J., Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae), J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d . [all data]

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [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]

Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T., Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]

Chen and Ho, 1998
Chen, J.; Ho, C.-T., Volatile compounds formed from thermal degradation of glucosamine in a dry system, J. Agric. Food Chem., 1998, 46, 5, 1971-1974, https://doi.org/10.1021/jf971021o . [all data]

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Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Ishihara, Tsuneya, et al., 1992
Ishihara, M.; Tsuneya, T.; Shiga, M.; Kawashima, S.; Yamagishi, K.; Yoshida, F.; Sato, H.; Uneyama, K., New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita), J. Agric. Food Chem., 1992, 40, 9, 1647-1655, https://doi.org/10.1021/jf00021a034 . [all data]

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Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R., Identification of sheep liver volatiles, J. Agric. Food Chem., 1983, 31, 5, 1052-1057, https://doi.org/10.1021/jf00119a033 . [all data]

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Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A., Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup), Food Sci. Technol., 1996, 2, 3, 163-166. [all data]

Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I., Improvement of quality of likorine extract by heat treatment, J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976 . [all data]

Vernin, Metzger, et al., 1992
Vernin, G.; Metzger, J.; Boniface, C.; Murello, M.-H.; Siouffi, A.; Larice, J.-L.; Parkanyi, C., Kinetics and thermal degradation of the fructose-methionine Amadori intermediates. GC-MS/SPECMA data bank identification of volatile aroma compounds, Carbohyd. Res., 1992, 230, 1, 15-29, https://doi.org/10.1016/S0008-6215(00)90510-X . [all data]

Wong and Bernhard, 1988
Wong, J.M.; Bernhard, R.A., Effect of nitrogen source on pyrazine formation, J. Agric. Food Chem., 1988, 36, 1, 123-129, https://doi.org/10.1021/jf00079a032 . [all data]

Schieberle and Grosch, 1983
Schieberle, P.; Grosch, W., Identifizierung von Aromastoffen aus der Kruste von Roggenbrot, Z. Lebensm. Unters. Forsch., 1983, 177, 3, 173-180, https://doi.org/10.1007/BF01146791 . [all data]

Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G., Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax, Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040 . [all data]

Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G., Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting, Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331 . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References