2,4-Heptadienal, (E,E)-
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChIKey: SATICYYAWWYRAM-VNKDHWASSA-N
- CAS Registry Number: 4313-03-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: trans-2-trans-4-Heptadienal; trans,trans-2,4-Heptadienal; 2,4-Heptadien-1-al; (E,E)-2,4-Heptadienal; (E,E)-2,4-Heptadien-1-al; 2,4-(E,E)-Heptadienal; (E)-2,(E)-4- Heptadienal; (E,E)-Hepta-2,4-dienal; Hepta-2(E),4(E)-dienal; trans,trans-Hepta-2,4-dienal; (2E,4E)-2,4-heptadienal; (E; E)-2,4-heptadienal; (2E,4E)-hepta-2,4-dienal
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-Petro | DB-Petro | HP-5MS |
Column length (m) | 60. | 60. | 50. | 50. | 30. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.5 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 50. | 80. |
Tend (C) | 230. | 260. | 270. | 270. | 300. |
Heat rate (K/min) | 3. | 4. | 2. | 2. | 4. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 10. | 10. | |||
I | 1013. | 1015. | 966.6 | 966.6 | 1012.3 |
Reference | Engel and Ratel, 2007 | Methven L., Tsoukka M., et al., 2007 | Pang T., Zhu S., et al., 2007 | Pang T., Zhu S., et al., 2007 | Zeng, Zhao, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Mega 5MS | SPB-5 | HP-5 | HP-5MS | HP-5 |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 60. | 40. |
Tend (C) | 240. | 230. | 220. | 280. | 300. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 4. |
Initial hold (min) | 5. | 10. | 5. | ||
Final hold (min) | 5. | ||||
I | 981. | 1012. | 1017. | 1007. | 1009. |
Reference | Condurso, Verzera, et al., 2006 | Deport, Ratel, et al., 2006 | Flamini, Tebano, et al., 2006 | Kukic J., Petrovic S., et al., 2006 | Vundac, Pfeifhofer, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | HP-5 | HP-5 | HP-5 | HP-5MS |
Column length (m) | 0. | 30. | 25. | 30. | 30. |
Carrier gas | He | N2 | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 40. | 60. | 60. |
Tend (C) | 280. | 220. | 280. | 220. | 280. |
Heat rate (K/min) | 4. | 5. | 5. | 5. | 4. |
Initial hold (min) | 2. | 10. | 10. | 5. | |
Final hold (min) | 5. | 5. | |||
I | 1017. | 1017. | 1018. | 1017. | 1008. |
Reference | Elmore, Cooper, et al., 2005 | Flamini, Luigi Cioni, et al., 2005 | Solina, Baumgartner, et al., 2005 | Flamini, Luigi Cioni, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SPB-5 | SPB-5 | DB-5MS | DB-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 40. | 40. |
Tend (C) | 260. | 250. | 250. | 200. | 200. |
Heat rate (K/min) | 3. | 4. | 4. | 4. | 4. |
Initial hold (min) | 2. | 2. | 5. | 5. | |
Final hold (min) | 20. | 20. | 20. | 20. | |
I | 1009. | 999. | 1009. | 1012. | 1008. |
Reference | Javidnia, Miri, et al., 2004 | Píno, Marbot, et al., 2004 | Pino, Marbot, et al., 2004 | Zheng, Kim, et al., 2004 | Zheng, Kim, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | N2 | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 220. | 220. | 240. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 3. |
Initial hold (min) | 10. | 10. | 10. | 10. | |
Final hold (min) | |||||
I | 1017. | 1017. | 1017. | 1017. | 1017. |
Reference | Campeol, Flamini, et al., 2003 | Campeol, Flamini, et al., 2003 | Dural, Bagci, et al., 2003 | Ertugrul, Dural, et al., 2003 | Flamini, Cioni, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | CP Sil 8 CB | BPX-5 | HP-5 |
Column length (m) | 25. | 30. | 60. | 50. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 35. | 50. |
Tend (C) | 260. | 280. | 280. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
Initial hold (min) | 5. | 2. | 3. | 5. | |
Final hold (min) | 10. | ||||
I | 1009. | 1008. | 1018. | 1030. | 1009. |
Reference | Javidnia, Miri, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Elmore, Campo, et al., 2002 | Oruna-Concha, Duckham, et al., 2001 | Lazari, Skaltsa, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-1 | HP-5 | DB-5MS | SE-30 |
Column length (m) | 60. | 25. | 30. | 30. | 50. |
Carrier gas | N2 | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.33 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 35. | 35. | 40. | 50. |
Tend (C) | 200. | 250. | 250. | 200. | 250. |
Heat rate (K/min) | 5. | 4. | 5.3 | 6. | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | 30. | 2. | 2. | 30. | |
I | 987. | 978.2 | 1003. | 1013. | 1000. |
Reference | Wu, Wang, et al., 2000 | Siegmund and Pfannhauser, 1999 | Siegmund and Pfannhauser, 1999 | Cha and Cadwallader, 1998 | Misharina and Golovnya, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-5 |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 250. |
Heat rate (K/min) | 4. |
Initial hold (min) | |
Final hold (min) | |
I | 998. |
Reference | Gómez, Ledbetter, et al., 1993 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
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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),
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Pang T., Zhu S., et al., 2007
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Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography,
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Zeng, Zhao, et al., 2007
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Comparative analysis of volatile components from Clematis species growing in China,
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Condurso, Verzera, et al., 2006
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The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
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Deport, Ratel, et al., 2006
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Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems,
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Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
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Kukic J., Petrovic S., et al., 2006
Kukic J.; Petrovic S.; Pavlovic M.; Couladis M.; Tzakou O.; Niketic M.,
Composition of essential oil of Stachys alpina L. ssp dinarica Murb.,
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Vundac, Pfeifhofer, et al., 2006
Vundac, V.B.; Pfeifhofer, H.W.; Brantner, A.H.; Males, Z.; Plazibat, M.,
Essential oils of seven Stachys taxa from Croatia,
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Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
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Flamini, Luigi Cioni, et al., 2005
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Composition of the essential oils and in vivo emission of volatiles of four Lamium species from Italy: L. purpureum, L. hybridum, L. bifidum and L. amplexicaule,
Food Chem., 2005, 91, 1, 63-68, https://doi.org/10.1016/j.foodchem.2004.05.047
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Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B.,
Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
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Flamini, Luigi Cioni, et al., 2004
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy),
Flavour Fragr. J., 2004, 19, 4, 327-329, https://doi.org/10.1002/ffj.1307
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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,
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Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
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Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
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Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
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Zheng, Kim, et al., 2004
Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J.,
Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis,
Flavour Fragr. J., 2004, 19, 5, 401-405, https://doi.org/10.1002/ffj.1447
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Campeol, Flamini, et al., 2003
Campeol, E.; Flamini, G.; Cioni, P.L.; Morelli, I.; Cremonini, R.; Ceccarini, L.,
Volatile fractions from three cultivars of Olea eruopaea L. collected in two different seasons,
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Dural, Bagci, et al., 2003
Dural, H.; Bagci, Y.; Ertugrul, K.; Demirelma, H.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oil composition of two endemic Centaurea species from Turkey, Centaurea mucronifera and Centaurea chrysantha, collected in the same habitat,
Biochem. Syst. Ecol., 2003, 31, 12, 1417-1425, https://doi.org/10.1016/S0305-1978(03)00128-5
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Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey,
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Flamini, Cioni, et al., 2003
Flamini, G.; Cioni, P.L.; Morelli, I.; Ceccarini, L.; Andolfi, L.; Macchia, M.,
Composition of the essential oil of Medicago marina L. from the coastal dunes of Tuscany, Italy,
Flavour Fragr. J., 2003, 18, 5, 460-462, https://doi.org/10.1002/ffj.1253
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Javidnia, Miri, et al., 2003
Javidnia, K.; Miri, R.; Azarpira, A.; Tabaei, S.M.H.,
Composition of the essential oil of Stachys setifera C.A. Mey ssp. iranica growing in Iran,
Flavour Fragr. J., 2003, 18, 4, 299-300, https://doi.org/10.1002/ffj.1165
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Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
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Oruna-Concha, Duckham, et al., 2001
Oruna-Concha, M.J.; Duckham, S.C.; Ames, J.M.,
Comparison of volatile compounds isolated from the skin and flesh of four potato cultivars after baking,
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Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
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Wu, Wang, et al., 2000
Wu, C.-M.; Wang, Z.; Wu, Q.H.,
Volatile compounds produced from monosodium glutamate in common food cooking,
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Siegmund and Pfannhauser, 1999
Siegmund, B.; Pfannhauser, W.,
Changes of the volatile fraction of cooked chicken meat during chill storing: results obtained by the electronic nose in comparison to GC-MS and GC olfactometry,
Z. Lebensm. Unters. Forsch. A, 1999, 208, 5-6, 336-341, https://doi.org/10.1007/s002170050426
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Cha and Cadwallader, 1998
Cha, Y.J.; Cadwallader, K.R.,
Aroma-active compounds in skipjack tuna sauce,
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Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V.,
Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry,
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Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
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. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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