2-Heptenal, (E)-
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
- IUPAC Standard InChIKey: NDFKTBCGKNOHPJ-AATRIKPKSA-N
- CAS Registry Number: 18829-55-5
- 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. - Stereoisomers:
- Other names: (E)-2-Hepten-1-al; (E)-2-Heptenal; n-Hept-trans-2-enal; trans-2-Heptenal; Hept-trans-2-enal; 2-trans-Heptenal; trans-2-Hepten-1-al; β-Butylacrolein; 3-Butylacrolein; (2E)-2-Heptenal; (2E)-Heptenal; (E)-hept-2-enal; Hept-2(E)-enal; Hept-(E)-2-enal; 2-Heptenal, (2E)-
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Van Den Dool and Kratz RI, 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 | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB | DB-Wax | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 60. | 30. | 60. |
| 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 | 0.5 | 0.25 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 40C(5min) => 10C/min => 160C => 15C/min => 230C | 45C(5min) => 10C/min => 80C => 2C/min => 240C |
| I | 1323. | 1320. | 1328. | 1323. | 1330. |
| Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Romeo, Ziino, et al., 2007 | Hallier, Prost, et al., 2005 | Verzera, Ziino, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | HP-Innowax | HP-Innowax |
| Column length (m) | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 |
| Program | 50C => 5C/min => 180C => 10C/min => 250C | 50C => 5C/min => 180C => 10C/min => 250C | 32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min) | 32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min) |
| I | 1342. | 1339. | 1336. | 1339. |
| Reference | Sérot, Regost, et al., 2002 | Sérot, Regost, et al., 2001 | Iversen, Jakobsen, et al., 1998 | Iversen, Jakobsen, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A.,
Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS,
Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029
. [all data]
Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T.,
Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish),
J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o
. [all data]
Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M.,
Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses,
Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4
. [all data]
Sérot, Regost, et al., 2002
Sérot, T.; Regost, C.; Arzel, J.,
Identification of odour-active compounds in muscle of brown trout (Salmo trutta) as affected by dietary lipid sources,
J. Sci. Food Agric., 2002, 82, 6, 636-643, https://doi.org/10.1002/jsfa.1096
. [all data]
Sérot, Regost, et al., 2001
Sérot, T.; Regost, C.; Prost, C.; Robin, J.; Arzel, J.,
Effect of dietary lipid sources on odour-active compounds in muscle of turbot (Psetta maxima),
J. Sci. Food Agric., 2001, 81, 14, 1339-1346, https://doi.org/10.1002/jsfa.950
. [all data]
Iversen, Jakobsen, et al., 1998
Iversen, C.K.; Jakobsen, H.B.; Olsen, C.-E.,
Aroma changes during black currant (Ribes nigrum L.) nectar processing,
J. Agric. Food Chem., 1998, 46, 3, 1132-1136, https://doi.org/10.1021/jf970513y
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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