2,4-Heptadienal
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChIKey: SATICYYAWWYRAM-UHFFFAOYSA-N
- CAS Registry Number: 5910-85-0
- 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. - Stereoisomers:
- Other names: hepta-2,4-dienal; 2,4-Heptadienal, (Z,Z)-; 2,4-Heptadienal, # 2; 2,4-Heptandienal
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- Other data available:
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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 | DB-1 | SLB-5 MS | SLB-5 MS | DB-5 MS | DB-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | Helium | Helium | Helium | Helium |
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 |
Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | 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 | 973. | 1000. | 1005. | 1010. | 967. |
Reference | Albano, Lima, et al., 2012 | Mondello, 2012 | Mondello, 2012 | 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-1 | DB-5 | RTX-5 | HP-5 MS | MDN-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | not specified | not specified | 35 0C (1 min) 120 0C/min -> 60 0C 1.5 0C/min -> 100 0C 5 0C/min -> 280 0C | 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C |
I | 982. | 998. | 1000. | 1013. | 999. |
Reference | Barra, Baldovini, et al., 2007 | Machado, Bastos, et al., 2007 | Ádámová, Orinák, et al., 2005 | Turchini, Giani, et al., 2005 | Turchimi, Mentasti, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | HP-5MS | SF-96 | Squalane |
Column length (m) | 30. | 40. | 1. |
Carrier gas | He | ||
Substrate | Celite (80-100 mesh) | ||
Column diameter (mm) | 0.25 | 0.28 | |
Phase thickness (μm) | 0.25 | ||
Program | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified |
I | 1012. | 983. | 955. |
Reference | Ansorena, Gimeno, et al., 2001 | Kawasaki, Matsui, et al., 1998 | Swoboda and Lea, 1965 |
Comment | 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.
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [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]
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]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Machado, Bastos, et al., 2007
Machado, C.C.B.; Bastos, D.H.M.; Janzantti, N.S.; Facanali, R.; Marques, M.M.; Franco, M.R.B.,
Determinação do perfil de compostos voláteis e avaliação do sabor e aroma de bebidas produzidas a partir da erva-mate (Ilex paraguariensis),
Quim. Nova, 2007, 30, 3, 513-518, https://doi.org/10.1590/S0100-40422007000300002
. [all data]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Turchini, Giani, et al., 2005
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.M.; Valfre, F.,
Discrimination of origin og farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Animal Sci., 2005, 3, 123-140. [all data]
Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F.,
Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet,
J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x
. [all data]
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
Long-chain aldehyde-forming activity in tobacco leaves,
Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2
. [all data]
Swoboda and Lea, 1965
Swoboda, P.A.T.; Lea, C.H.,
The flavour volatiles of fats and fat-containing foods. II - a gas chromatographic investigation of volatile autoxidation products from sunflower oil,
J. Sci. Food Agriculture, 1965, 16, 11, 680-689, https://doi.org/10.1002/jsfa.2740161108
. [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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