2,4-Hexadienal, (E,E)-
- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N
- CAS Registry Number: 142-83-6
- 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: Sorbaldehyde; n-Hex-2,4-dienal, trans,trans-; Hexa-2,4-dienal, (E,E)-; Sorbic aldehyde; 2,4-Hexadien-1-al, (E,E)-; (E,E)-2,4-Hexadienal; trans,trans-2,4-Hexadienal; 2,4-(E,E)-Hexadienal; (2E,4E)-Hexadienal; (E)-2,(E)-4-Hexadienal; (E,E)-Hexa-2,4-dienal; trans,trans-Hexa-2,4-dienal; t,t-2,4-Hexadienal; 2,4-Hexadienal, (2E,4E)-; 2,4-Hexadienal; hexa-2,4-dienal
- Information on this page:
- Other data available:
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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 | Mega 5MS | DB-5MS | SPB-5 | HP-5 |
Column length (m) | 60. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 40. | 60. | 60. |
Tend (C) | 230. | 240. | 200. | 250. | 220. |
Heat rate (K/min) | 3. | 3. | 2. | 4. | 5. |
Initial hold (min) | 2. | 2. | 10. | ||
Final hold (min) | 10. | 20. | 20. | ||
I | 912. | 879. | 915. | 909. | 911. |
Reference | Engel and Ratel, 2007 | Condurso, Verzera, et al., 2006 | Seo and Baek, 2005 | Píno, Marbot, et al., 2004 | Campeol, Flamini, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | DB-5 | CP Sil 8 CB | CP Sil 5 CB |
Column length (m) | 30. | 30. | 25. | 60. | 30. |
Carrier gas | N2 | He | He | He | H2 |
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 | |
Tstart (C) | 60. | 60. | 60. | 40. | 60. |
Tend (C) | 220. | 240. | 260. | 280. | 280. |
Heat rate (K/min) | 5. | 3. | 4. | 4. | 2. |
Initial hold (min) | 10. | 2. | 10. | ||
Final hold (min) | 40. | ||||
I | 911. | 911. | 909. | 916. | 877. |
Reference | Campeol, Flamini, et al., 2003 | Flamini, Luigi Cioni, et al., 2003 | Javidnia, Miri, et al., 2003 | Elmore, Campo, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CP Sil 5 CB | DB-1 |
Column length (m) | 50. | 60. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | 0.4 | 1. |
Tstart (C) | 60. | -50. |
Tend (C) | 280. | 175. |
Heat rate (K/min) | 3. | 6. |
Initial hold (min) | 10. | 2. |
Final hold (min) | 60. | |
I | 877. | 881.1 |
Reference | Pino, Marbot, et al., 2001 | Helmig, Klinger, et al., 1999 |
Comment | 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]
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Seo and Baek, 2005
Seo, W.H.; Baek, H.H.,
Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.),
J. Agric. Food Chem., 2005, 53, 17, 6766-6770, https://doi.org/10.1021/jf050150z
. [all data]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Campeol, Flamini, et al., 2003
Campeol, E.; Flamini, G.; Cioni, P.L.; Morelli, I.; Cremonini, R.; Ceccarini, L.,
Volatile fractions from three cultivars of Olea eruopaea L. collected in two different seasons,
J. Agric. Food Chem., 2003, 51, 7, 1994-1999, https://doi.org/10.1021/jf026025u
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy,
J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y
. [all data]
Javidnia, Miri, et al., 2003
Javidnia, K.; Miri, R.; Azarpira, A.; Tabaei, S.M.H.,
Composition of the essential oil of Stachys setifera C.A. Mey ssp. iranica growing in Iran,
Flavour Fragr. J., 2003, 18, 4, 299-300, https://doi.org/10.1002/ffj.1165
. [all data]
Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P.,
Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S.,
Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1
. [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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