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2-Pentenal, (E)-


Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference
353.70.213Weast and Grasselli, 1989
336.20.11Weast and Grasselli, 1989

Reaction thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

trans-3-Pentenal = 2-Pentenal, (E)-

By formula: C5H8O = C5H8O

Quantity Value Units Method Reference Comment
Deltar-3. ± 6.7kJ/molEqkHine, Kanagasabapathy, et al., 1982liquid phase

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 evaluated by: Edward P. Hunter and Sharon G. Lias

Quantity Value Units Method Reference Comment
Proton affinity (review)839.0kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity807.2kJ/molN/AHunter and Lias, 1998 

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-3647
NIST MS number 238725

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1723.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1730.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillarySE-54751.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillarySE-30743.Greenberg, 1981He, 70. C @ 2. min, 5. K/min, 170. C @ 5. min; Column length: 50. m; Column diameter: 0.5 mm
CapillarySE-30744.Greenberg, 1981He, 70. C @ 2. min, 5. K/min, 170. C @ 5. min; Column length: 50. m; Column diameter: 0.5 mm

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1125.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1130.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax1130.Tatsuka, Suekane, et al., 199060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax1124.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillarySPB-5753.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5757.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryDB-Petro724.3Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-Petro724.3Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-5748.Bylaite and Meyer, 200630. m/0.25 mm/1. «mu»m, 50. C @ 1. min, 10. K/min, 290. C @ 10. min
CapillaryMega 5MS724.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryCP-Sil 8CB-MS753.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5MS754.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryHP-1724.Cavalli, Fernandez, et al., 200350. m/0.2 mm/0.33 «mu»m, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min
CapillaryDB-1721.4Sun and Stremple, 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryCP Sil 8 CB758.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCP Sil 8 CB745.Oruna-Concha, Ames, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min
CapillaryDB-1727.Warthen, Lee, et al., 199725. m/0.2 mm/0.11 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-1730.Warthen, Lee, et al., 199725. m/0.2 mm/0.11 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB759.Oruna-Concha, Bakker, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
CapillaryCP-Sil 8CB-MS759.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryBPX-5767.Elmore, Mottram, et al., 199750. m/0.32 mm/0.5 «mu»m, He; Program: 0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillarySE-54749.Ullrich and Grosch, 1988Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1134.Hashizume M., Gordon M.H., et al., 200760. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryDB-Wax Etr1096.Aubert C. and Pitrat M., 200630. m/0.25 mm/0.25 «mu»m, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryDB-Wax1128.Fernandez-Segovia, Escriche, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 10. K/min, 230. C @ 25. min
CapillarySupelcowax-101143.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-Wax1147.Nielsen, Larsen, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1147.Nielsen, Larsen, et al., 2004, 230. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1147.Nielsen, Larsen, et al., 2004, 330. m/0.25 mm/0.25 «mu»m, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryDB-Wax1147.Nielsen, Larsen, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 6. K/min, 240. C @ 30. min
CapillaryZB-Wax1111.Brunton, Cronin, et al., 200260. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillarySupelcowax-101132.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101132.Chung, Yung, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101132.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1125.Cha, Kim, et al., 199860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
CapillaryDB-Wax1127.Iwaoka, Hagi, et al., 1994He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1125.Shiratsuchi, Shimoda, et al., 199360. m/0.25 mm/0.25 «mu»m, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
CapillarySupelcowax-101124.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101127.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101140.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 «mu»m; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-101135.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101139.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min)
CapillaryCP-Wax 52CB1133.Romeo, Ziino, et al., 200760. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryCP-Wax 52CB1131.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillarySOLGel-Wax1096.Aubert, Baumann, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)
CapillaryDB-Wax1124.Pennarun, Prost, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C
CapillaryDB-Wax1124.Pennarun, Prost, et al., 200230. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C
CapillaryDB-Wax1134.Sérot, Regost, et al., 200230. m/0.32 mm/0.5 «mu»m, He; Program: 50C => 5C/min => 180C => 10C/min => 250C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5744.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryMega 5 MS724.Romeo, Verzera, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 3. K/min; Tend: 240. C
CapillarySPB-5755.Sivadier, Ratel, et al., 200960. m/0.32 mm/1.00 «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
CapillaryHP-5 MS754.Forero, Quijano, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min
CapillaryHP-5765.Mildner-Szkudlarz and Jelen, 200810. m/0.10 mm/0.40 «mu»m, Helium, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
CapillaryUltra-2761.Ceva-Antunes, Bizzo, et al., 200625. m/0.25 mm/0.33 «mu»m, H2, 40. C @ 2. min, 3. K/min, 280. C @ 10. min
CapillaryMDN-5753.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryMDN-5765.Mildner-Szkudlarz, Jelen, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 20. K/min, 280. C @ 1. min
CapillarySPB-1743.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySPB-1718.Vichi, Pizzale, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySPB-1724.Vichi, Pizzale, et al., 2003, 230. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryDB-1723.Buttery and Ling, 1995He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-1723.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-1723.Buttery, Teranishi, et al., 1990He, 30. C @ 25. min, 4. K/min, 200. C @ 5. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-1725.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryDB-1728.Delort and Jaquier, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
CapillaryHP-5 MS746.Xie, Sun, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
CapillaryHP-5 MS750.Xie, Sun, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
CapillaryDB-5 MS759.Liu, Xu, et al., 200760. m/0.32 mm/1.0 «mu»m, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryHP-5755.Splivallo, Bossi, et al., 2007He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
Capillary5 % Phenyl methyl siloxane753.Beaulieu J.C. and Lea J.M., 200630. m/0.25 mm/0.75 «mu»m; Program: 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)
CapillaryBPX-5751.van Ruth, Floris, et al., 200660. m/0.32 mm/1. «mu»m, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C
CapillaryHP-5754.Jordán, Margaría, et al., 200230. m/0.25 mm/0.25 «mu»m; Program: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C
CapillaryHP-5754.Jordán, Margaría, et al., 200230. m/0.25 mm/0.25 «mu»m; Program: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C
CapillaryDB-1723.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillarySF96+Igepal741.Flath, Altieri, et al., 1984Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB1131.Birtic, Ginies, et al., 200930. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
CapillaryDB-Wax1138.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryZB-Wax1146.Wierda R.L., Fletcher G., et al., 200660. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 3. K/min, 250. C @ 10. min
CapillarySupelcowax-101173.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillarySupelcowax-101174.Rochat and Chaintreau, 200560. m/0.53 mm/1. «mu»m, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
CapillaryDB-Wax1134.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillarySupelcowax-101127.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySupelcowax-101131.Vichi, Pizzale, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillarySupelcowax-101121.Vichi, Pizzale, et al., 2003, 230. m/0.25 mm/0.25 «mu»m, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax1117.Umano, Hagi, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-101144.Girard and Durance, 200060. m/0.25 mm/0.25 «mu»m, He, 35. C @ 10. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax1124.Umano, Nakahara, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillaryDB-Wax1121.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. «mu»m, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryCarbowax 20M1104.Kawakami, Ganguly, et al., 199560. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryDB-Wax1121.Kobayashi, Tsuda, et al., 1995He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryPEG-20M1104.Togari, Kobayashi, et al., 199550. m/0.25 mm/0.15 «mu»m, He, 60. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryPEG-20M1108.Togari, Kobayashi, et al., 199550. m/0.25 mm/0.15 «mu»m, He, 60. C @ 4. min, 2. K/min; Tend: 180. C
CapillaryCarbowax 20M1104.Kawakami, Kobayashi, et al., 1993He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryDB-Wax1125.Shimoda, Shiratsuchi, et al., 199360. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 2. K/min; Tend: 230. C
CapillaryCarbowax 20M1104.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryDB-Wax1123.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-Wax1124.Binder, Flath, et al., 198950. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm
CapillarySupelcowax-101130.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 1. K/min; Tend: 175. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52 CB1134.Romeo, Verzera, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C
CapillarySupelcowax-101138.Vichi, Guadayol, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)
CapillaryDB-Wax1123.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillarySupelcowax-101131.Jung, Kim, et al., 2001Program: not specified
CapillaryDB-Wax1138.Piveteau, le Guen, et al., 200060. m/0.32 mm/0.5 «mu»m, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)
CapillaryCP-Wax 52CB1116.Luning, Carey, et al., 1995Program: 40C => 2C/min => 150C => 10C/min => 250C
CapillaryCP Wax 52 CB1124.Patterson and Stevenson, 199550. m/0.32 mm/0.20 «mu»m; Program: 50 0C (10 min) 2 0C/min -> 100 0C 5 0C/min -> 150 0C 7 0C/min -> 220 0C (20 min)
CapillaryCP-Wax 52CB1118.Luning, de Rijk, et al., 199450. m/0.32 mm/1.5 «mu»m; Program: 40C => 2C/min => 150C => 10C/min => 250C
CapillaryDB-Wax1123.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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]

Hine, Kanagasabapathy, et al., 1982
Hine, J.; Kanagasabapathy, V.M.; Ng, P., Double bond stabilizing abilities of formyl, carbo-tert-butoxy, and carbomethoxy substituents, J. Org. Chem., 1982, 47, 2745-2748. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Takeoka, Perrino, et al., 1996
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Rembold, Wallner, et al., 1989
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Greenberg, 1981
Greenberg, M.J., Characterization of poultry byproduct meal flavor volatiles, J. Agric. Food Chem., 1981, 29, 4, 831-834, https://doi.org/10.1021/jf00106a038 . [all data]

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H., Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling, J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015 . [all data]

Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T., Analysis of headspace volatiles from overheated beef fat, J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004 . [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S., · Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques, Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8 . [all data]

Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679 . [all data]

Elmore, Cooper, et al., 2005
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Pino, Mesa, et al., 2005
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Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Elmore, Campo, et al., 2002
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Oruna-Concha, Ames, et al., 2002
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Warthen, Lee, et al., 1997
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Oruna-Concha, Bakker, et al., 2002
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Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Novel thiazoles and 3-thiazolines in cooked beef aroma, J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m . [all data]

Ullrich and Grosch, 1988
Ullrich, F.; Grosch, W., Identification of the most intense odor compounds formed during autoxidation of methyl linolenate at room temperature, J. Amer. Oil Chem. Soc., 1988, 65, 8, 1313-1317, https://doi.org/10.1007/BF02542413 . [all data]

Hashizume M., Gordon M.H., et al., 2007
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Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [all data]

Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A., In?uence of di?erent preservation treatments on the volatile fraction of desalted cod, Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021 . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L., Formation of aroma compounds during long-term frozen storage of unblanched leek (Allium ampeloprasum Var. Bulga) as affected by packaging atmosphere and slice thickness, J. Agric. Food Chem., 2004, 52, 5, 1234-1240, https://doi.org/10.1021/jf0306183 . [all data]

Nielsen, Larsen, et al., 2004, 2
Nielsen, G.S.; Larsen, L.M.; Poll, L., Formation of volatile compounds in model experiments with crude leek (Allium ampeloprasum Var. Lancelot) enzyme extract and linoleic acid or linolenic acid, J. Agric. Food Chem., 2004, 52, 8, 2315-2321, https://doi.org/10.1021/jf030600s . [all data]

Nielsen, Larsen, et al., 2004, 3
Nielsen, G.S.; Larsen, L.M.; Poll, L., Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices, J. Agric. Food Chem., 2004, 52, 15, 4844-4852, https://doi.org/10.1021/jf049623c . [all data]

Nielsen, Larsen, et al., 2003
Nielsen, G.S.; Larsen, L.M.; Poll, L., Formation of aroma compounds and lipoxygenase (EC 1.13.11.12) activity in unblanced leek (Allium ampeloprasum Var. Bulga) slices during long-term frozen storage, J. Agric. Food Chem., 2003, 51, 7, 1970-1976, https://doi.org/10.1021/jf020921o . [all data]

Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J., Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat, Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087 . [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]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029 . [all data]

Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H., Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes, J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541 . [all data]

Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M., Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas), J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c . [all data]

Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M., Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas, J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236 . [all data]

Sérot, Regost, et al., 2002
Sérot, T.; Regost, C.; Arzel, J., Identification of odour-active compounds in muscle of brown trout (Salmo trutta) as affected by dietary lipid sources, J. Sci. Food Agric., 2002, 82, 6, 636-643, https://doi.org/10.1002/jsfa.1096 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M., Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae), J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R . [all data]

Romeo, Verzera, et al., 2009
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Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H., The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil, Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053 . [all data]

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van Loon, Linssen, et al., 2005
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Mildner-Szkudlarz, Jelen, et al., 2003
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Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C., Volatile flavor components of corn tortillas and related products, J. Agric. Food Chem., 1995, 43, 7, 1878-1882, https://doi.org/10.1021/jf00055a023 . [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Buttery, Teranishi, et al., 1990
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Habu, Flath, et al., 1985
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Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

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Binder, Flath, et al., 1989
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Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R., Volatile constituents of Amaranthus retroflexus L., J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024 . [all data]

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Wierda R.L., Fletcher G., et al., 2006
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A., Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note, J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Girard and Durance, 2000
Girard, B.; Durance, T., Headspace volatiles of sockeye and pink salmon as affected by retort process, Food Chem. Toxicol., 2000, 65, 1, 34-39. [all data]

Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T., Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger, J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i . [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

Kawakami, Ganguly, et al., 1995
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Notes

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