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:
Normal alkane RI, non-polar column, custom temperature program
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 | TR-5 MS | SLB-5 MS | SLB-5 MS | Siloxane, 5 % Ph | VF-5 MS |
Column length (m) | 15. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | not specified | not specified | not specified | not specified |
I | 1008. | 1013. | 1016. | 1006. | 1017. |
Reference | Kurashov, Mitrukova, et al., 2014 | Mondello, 2012 | Mondello, 2012 | VOC BinBase, 2012 | Liu, Lu, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | Polydimethyl siloxane, 5 % phenyl | HP-5 | HP-5 MS | DB-5 |
Column length (m) | 60. | 30. | 30. | 50. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 1.00 | 0.25 | 0.25 | 0.25 | |
Program | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | not specified | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 250 0C (3 min) |
I | 1022. | 1006. | 1012. | 1015. | 1007. |
Reference | Miyazaki, Plotto, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | Kahriman, Tosun, et al., 2010 | Mancini, Arnold, et al., 2009 | Judzentiene and Budiene, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 MS | HP-5 MS | DB-5 MS | DB-5 MS |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1.05 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) | 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) |
I | 1014. | 1012. | 1013. | 983. | 995. |
Reference | Ventanas, Estevez, et al., 2008 | Xie, Sun, et al., 2008 | Xie, Sun, et al., 2008 | Zhu, Li, et al., 2008 | Zhu, Li, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.75 | 0.75 | 0.25 | |
Program | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) | not specified | 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) | 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) | not specified |
I | 1012. | 1012. | 1015. | 998. | 1008. |
Reference | Dou, Li, et al., 2007 | Liolios, Laouer, et al., 2007 | Beaulieu J.C. and Lea J.M., 2006 | Beaulieu J.C. and Lea J.M., 2006 | Kucuk, Gulec, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | HP-5 | SE-54 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | H2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 35C (1min) => 40C/min => 60C (5min) => 4C/min => 240C | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | 40 0C -> (unknowm rate) 50 0C (2 min) 6 0C/min -> 200 0C | not specified |
I | 1003. | 1009. | 998. | 1011. | 979. |
Reference | Triqui and Bouchriti, 2003 | Jordán, Margaría, et al., 2002 | Jordán, Margaría, et al., 2002 | Milo and Grosch, 1993 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y.,
Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS,
Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7
. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N.,
Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
Turk. J. Chem., 2010, 34, 969-976. [all data]
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Judzentiene and Budiene, 2008
Judzentiene, A.; Budiene, J.,
Volatile constituents from aerial parts and roots of Cichorium intybis L. (chicory) grown in Lithuania,
Chemija, 2008, 19, 2, 25-28. [all data]
Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J.,
Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED,
Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011
. [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]
Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H.,
Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption,
Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1
. [all data]
Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F.,
Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods,
Journal of Tea Science, 2007, 27, 1, 51-60. [all data]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M.,
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction,
J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l
. [all data]
Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N.,
Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium,
Pharm. Biol., 2006, 44, 8, 592-599, https://doi.org/10.1080/13880200600896868
. [all data]
Triqui and Bouchriti, 2003
Triqui, R.; Bouchriti, N.,
Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles,
J. Agric. Food Chem., 2003, 51, 26, 7540-7546, https://doi.org/10.1021/jf0348166
. [all data]
Jordán, Margaría, et al., 2002
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2002, 50, 19, 5386-5390, https://doi.org/10.1021/jf020297f
. [all data]
Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
J. Agric. Food Chem., 1993, 41, 11, 2076-2081, https://doi.org/10.1021/jf00035a048
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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