4-Heptenal, (Z)-
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
- IUPAC Standard InChIKey: VVGOCOMZRGWHPI-ARJAWSKDSA-N
- CAS Registry Number: 6728-31-0
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: cis-4-Hepten-1-al; (Z)-4-Hepten-1-al; cis-4-Heptenal; (4Z)-4-Heptenal; 4-(Z)-Heptenal; Hept-4(Z)-enal; Hept-cis-4-enal; (Z)-4-Heptenal; ( Z)-Hept-4-enal
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | SPB-5 | DB-5MS | DB-5 | DB-5MS | DB-5MS |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 1. | 0.25 | 0.25 |
| Tstart (C) | 40. | 35. | 40. | 40. | 40. |
| Tend (C) | 230. | 225. | 260. | 200. | 200. |
| Heat rate (K/min) | 3. | 10. | 4. | 5. | 10. |
| Initial hold (min) | 2. | 5. | 2. | 5. | 3. |
| Final hold (min) | 10. | 25. | 10. | 45. | 20. |
| I | 898. | 888. | 900. | 903. | 905. |
| Reference | Engel and Ratel, 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Methven L., Tsoukka M., et al., 2007 | Whetstine M.E.C., Drake M.A., et al., 2006 | Carunchia Whetstine, Croissant, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Sil 8CB-MS | DB-5MS | DB-5 | HP-5 | DB-5MS |
| Column length (m) | 0. | 30. | 30. | 30. | 30. |
| Carrier gas | He | 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 |
| Tstart (C) | 40. | 40. | 40. | 60. | 35. |
| Tend (C) | 280. | 200. | 200. | 220. | 200. |
| Heat rate (K/min) | 4. | 10. | 10. | 5. | 10. |
| Initial hold (min) | 2. | 3. | 5. | 10. | 5. |
| Final hold (min) | 5. | 20. | 15. | 30. | |
| I | 902. | 903. | 904. | 902. | 898. |
| Reference | Elmore, Cooper, et al., 2005 | Whetstine, Cadwallader, et al., 2005 | Avsar, Karagul-Yuceer, et al., 2004 | Flamini, Luigi Cioni, et al., 2003 | Karagül-Yüceer, Vlahovich, 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 | DB-5MS | HP-1 | HP-5 | DB-5MS |
| Column length (m) | 30. | 60. | 25. | 30. | 30. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
| Tstart (C) | 35. | 40. | 35. | 35. | 40. |
| Tend (C) | 200. | 200. | 250. | 250. | 200. |
| Heat rate (K/min) | 10. | 2. | 4. | 5.3 | 6. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | 30. | 30. | 2. | 2. | 30. |
| I | 899. | 900. | 871.6 | 899.1 | 901. |
| Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Lee, Suriyaphan, et al., 2001 | Siegmund and Pfannhauser, 1999 | Siegmund and Pfannhauser, 1999 | Cha and Cadwallader, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | DB-1 | SE-30 |
| Column length (m) | 25. | 25. | 50. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.11 | 0.11 | 0.25 |
| Tstart (C) | 50. | 50. | 50. |
| Tend (C) | 250. | 250. | 250. |
| Heat rate (K/min) | 5. | 5. | 4. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 879. | 880. | 870. |
| Reference | Warthen, Lee, et al., 1997 | Warthen, Lee, et al., 1997 | Misharina and Golovnya, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R.,
Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q
. [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]
Whetstine M.E.C., Drake M.A., et al., 2006
Whetstine M.E.C.; Drake M.A.; Nelson B.K.; Barbano D.M.,
Flavor profiles of full-fat and reduced-fat cheese and cheese fat made from aged cheddar with the fat removed using a novel process,
J. Dairy Res., 2006, 89, 2, 505-517, https://doi.org/10.3168/jds.S0022-0302(06)72113-0
. [all data]
Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A.,
Characterization of Dried Whey Protein Concentrate and Isolate Flavor,
J. Dairy Sci., 2005, 88, 11, 3826-3839, https://doi.org/10.3168/jds.S0022-0302(05)73068-X
. [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]
Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A.,
Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese,
J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Variability of the essential oil of Viola etrusca,
Ann. Bot. Rome, 2003, 91, 4, 493-497, https://doi.org/10.1093/aob/mcg039
. [all data]
Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R.,
Characteristic aroma components of rennet casein,
J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806
. [all data]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R.,
Aroma components of cooked tail meat of American lobster (Homarus americanus),
J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t
. [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]
Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O.,
Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly,
J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61
. [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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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