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:
- Options:
Normal alkane 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 | SLB-5 MS | SLB-5 MS | VF-5 | VF-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
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 |
Program | not specified | not specified | 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) | not specified | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
I | 914. | 914. | 909. | 908. | 883. |
Reference | Mondello, 2012 | Mondello, 2012 | Shivashankar, Roy, et al., 2012 | Shivashankar, Roy, et al., 2012 | Delort and Jaquier, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5MS | HP-5 | SF-96 | DB-1 |
Column length (m) | 30. | 30. | 40. | 60. |
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.28 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified |
I | 924. | 921. | 880. | 876. |
Reference | Cole, Haber, et al., 2007 | Jordan, Martinez, et al., 2006 | Kawasaki, Matsui, et al., 1998 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A.,
Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011
. [all data]
Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
Long-chain aldehyde-forming activity in tobacco leaves,
Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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