2,4-Heptadienal, (E,E)-

Formula: C₇H₁₀O
Molecular weight: 110.1537
IUPAC Standard InChI: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
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:
- (E,Z)-2,4-Heptadienal
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:
- Switch to SI units

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

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
T_start (C)	40.	40.	50.	50.	80.
T_end (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
T_start (C)	60.	40.	60.	60.	40.
T_end (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
T_start (C)	40.	60.	40.	60.	60.
T_end (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
T_start (C)	60.	60.	60.	40.	40.
T_end (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
T_start (C)	60.	60.	60.	60.	60.
T_end (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
T_start (C)	60.	60.	40.	35.	50.
T_end (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
T_start (C)	30.	35.	35.	40.	50.
T_end (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)
T_start (C)	50.
T_end (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

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]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [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]

Deport, Ratel, et al., 2006
Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E., Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems, J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092 . [all data]

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, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

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., Flavour Fragr. J., 2006, 21, 3, 539-542, https://doi.org/10.1002/ffj.1684 . [all data]

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, Biochem. Syst. Ecol., 2006, 34, 12, 875-881, https://doi.org/10.1016/j.bse.2006.04.010 . [all data]

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, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

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 . [all data]

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, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

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 . [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]

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, Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277 . [all data]

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, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

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 . [all data]

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 . [all data]

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, J. Agric. Food Chem., 2003, 51, 7, 1994-1999, https://doi.org/10.1021/jf026025u . [all data]

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 . [all data]

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, Flavour Fragr. J., 2003, 18, 2, 95-97, https://doi.org/10.1002/ffj.1168 . [all data]

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 . [all data]

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 . [all data]

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, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

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, J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718 . [all data]

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, J. Agric. Food Chem., 2001, 49, 5, 2414-2421, https://doi.org/10.1021/jf0012345 . [all data]

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 . [all data]

Wu, Wang, et al., 2000
Wu, C.-M.; Wang, Z.; Wu, Q.H., Volatile compounds produced from monosodium glutamate in common food cooking, J. Agric. Food Chem., 2000, 48, 6, 2438-2442, https://doi.org/10.1021/jf9907743 . [all data]

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 . [all data]

Cha and Cadwallader, 1998
Cha, Y.J.; Cadwallader, K.R., Aroma-active compounds in skipjack tuna sauce, J. Agric. Food Chem., 1998, 46, 3, 1123-1128, https://doi.org/10.1021/jf970380g . [all data]

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, Zh. Anal. Khim., 1996, 51, 7, 791-795. [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.