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
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- Other data available:
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Van Den Dool and Kratz 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 | SE-54 | DB-5MS | DB-5MS | DB-5MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.5 |
Program | 40C(2min) => 6C/min => 150C => 20C/min => 230C | 50C => 5C/min => 200C => 8C/min => 260C(5min) | 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) | 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) | 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min) |
I | 1012. | 992. | 1019. | 1019. | 994. |
Reference | Schuh and Schieberle, 2006 | Selli, Rannou, et al., 2006 | Varlet V., Knockaert C., et al., 2006 | Varlet V., Knockaert C., et al., 2006 | Boué, Shih, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | CP Sil 8 CB | DB-5 | CP-Sil 8CB-MS | DB-5 |
Column length (m) | 50. | 60. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Program | 0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
I | 1016. | 1017. | 1011. | 1018. | 1029. |
Reference | Byrne, Bredie, et al., 2002 | Oruna-Concha, Bakker, et al., 2002 | Beaulieu and Grimm, 2001 | Elmore, Mottram, et al., 2000 | Parker, Hassell, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1. | 0.3 | 0.3 | ||
Program | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) | 35C (2min) => 40 C/min => 50C (1min) => 6C/min => 250C | 35C (2min) => 40 C/min => 50C (1min) => 6C/min => 250C | not specified |
I | 1008. | 1013. | 1012. | 1013. | 1012. |
Reference | Triqui and Reineccius, 1995 | Triqui and Reineccius, 1995 | Triqui and Reineccius, 1995, 2 | Triqui and Reineccius, 1995, 2 | Ullrich and Grosch, 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P.,
Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion,
J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n
. [all data]
Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T.,
Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor,
J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582
. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E.,
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q
. [all data]
Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M.,
Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat,
Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
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]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A.,
Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus),
J. Agric. Food Chem., 1995, 43, 7, 1883-1889, https://doi.org/10.1021/jf00055a024
. [all data]
Triqui and Reineccius, 1995, 2
Triqui, R.; Reineccius, G.A.,
Flavor development in the ripening of anchovy (Engraulis encrasicholus L.),
J. Agric. Food Chem., 1995, 43, 2, 453-458, https://doi.org/10.1021/jf00050a037
. [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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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