2,4-Heptadienal
- Formula: C7H10O
- Molecular weight: 110.1537
- IUPAC Standard InChI: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3
- 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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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-5 | DB-5MS | HP-1 | HP-1 |
| Column length (m) | 60. | 60. | 30. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.2 | 0.2 |
| Phase thickness (μm) | 1. | 1. | 0.25 | 0.33 | 0.33 |
| Tstart (C) | 40. | 40. | 40. | 60. | 60. |
| Tend (C) | 230. | 260. | 200. | 250. | 250. |
| Heat rate (K/min) | 3. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 2. | 2. | 5. | 5. | 5. |
| Final hold (min) | 10. | 10. | 20. | 20. | 20. |
| I | 998. | 999. | 993. | 966. | 963. |
| Reference | Engel and Ratel, 2007 | Methven L., Tsoukka M., et al., 2007 | Yu, Kim, et al., 2004 | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | Apiezon M | Apiezon M | Apiezon M |
| Column length (m) | 0.32 | 2.5 | 1.5 | 1.5 | 1.5 |
| Carrier gas | H2 | N2 | N2 | N2 | |
| Substrate | Gas-Chrom Q | Celite 545 | Celite 545 | Celite 545 | |
| Column diameter (mm) | 1. | ||||
| Phase thickness (μm) | |||||
| Tstart (C) | 30. | 50. | 75. | 75. | 75. |
| Tend (C) | 180. | 220. | 200. | 200. | 200. |
| Heat rate (K/min) | 1.5 | 2. | 6. | 6. | 6. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 992. | 1000. | 987. | 987. | 987. |
| Reference | Guichard and Souty, 1988 | Nixon, Wong, et al., 1979 | Golovnya and Uraletz, 1971 | Golovnya and Uraletz, 1971 | Golovnya and Uraletz, 1971 |
| Comment | MSDC-RI | MSDC-RI | 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]
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]
Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J.,
Aroma-active compounds of Pinus densiflora (red pine) needles,
Flavour Fragr. J., 2004, 19, 6, 532-537, https://doi.org/10.1002/ffj.1337
. [all data]
Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils,
J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n
. [all data]
Guichard and Souty, 1988
Guichard, E.; Souty, M.,
Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties,
Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031
. [all data]
Nixon, Wong, et al., 1979
Nixon, L.N.; Wong, E.; Johnson, C.B.; Birch, E.J.,
Nonacidic constituents of volatiles from cooked mutton,
J. Agric. Food Chem., 1979, 27, 2, 355-359, https://doi.org/10.1021/jf60222a044
. [all data]
Golovnya and Uraletz, 1971
Golovnya, V.; Uraletz, V.P.,
Gas chromatographic analysis of flavour components with correlation isothermal retention indices,
J. Chromatogr., 1971, 61, 65-71, https://doi.org/10.1016/S0021-9673(00)92384-7
. [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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