2-Hexenal
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChIKey: MBDOYVRWFFCFHM-UHFFFAOYSA-N
- CAS Registry Number: 505-57-7
- 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: 2-Hexen-1-al; n-C3H7CH=CHCHO; Hex-2-enal; Hex-2-en-1-al; Hexylenic aldehyde; Leaf aldehyde
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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 | HP-5 MS | DB-5 MS | RTX-5 | DB-5 MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | 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 |
Program | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | not specified | 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min) | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C => 3C/min => 100C => 5C/min => 230C(2min) |
I | 853. | 854. | 845. | 857. | 854. |
Reference | Fan, Lu, et al., 2009 | Su, Wang, et al., 2009 | Zachariah, Leela, et al., 2008 | Cajka, Hajslova, et al., 2007 | Chokeprasert P., Charles A.L., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-5MS | DB-1 | HP-5 MS | DB-5 |
Column length (m) | 60. | 30. | 60. | 30. | 50. |
Carrier gas | N2 | He | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1.05 |
Program | 40C(1min) => 5C/min => 150C => 10C/min => 200C(9min) | 40C(3min) => 8C/min => 160C => 15C/min => 300C | 33C(5min) => 2C/min => 50c => 5C/min => 225C | 35 0C (1 min) 120 0C/min -> 60 0C 1.5 0C/min -> 100 0C 5 0C/min -> 280 0C | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
I | 827. | 847. | 820. | 854. | 857. |
Reference | Lin, Peng, et al., 2007 | Mu, Wang, et al., 2007 | Cramer, Mattinson, et al., 2005 | Turchini, Giani, et al., 2005 | Garcia-Estaban, Ansorena, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | MDN-5 | HP-5 | DB-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1. |
Program | 30 0C (1 min) ballistically -> 60 0C 2 0C/min -> 120 0C 5 0C/min -> 280 0C (5 min) | 35 0C (1 min) 120 0C/min -> 60 0C 2 0C/min -> 280 0C | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C | 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C | -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
I | 831. | 835. | 847. | 854. | 850. |
Reference | Moretti, Madonia, et al., 2004 | Turchimi, Mentasti, et al., 2004 | Jordán, Margaría, et al., 2003 | Young, Lane, et al., 2003 | Young and Baumeister, 1999 |
Comment | MSDC-RI | 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.
Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S.,
effect of fermentation on free and bound volatile compounds of orange juice,
Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931
. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B.,
Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.),
J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Chokeprasert P., Charles A.L., et al., 2007
Chokeprasert P.; Charles A.L.; Sue K.H.; Huang T.C.,
Volatile components of the leaves, fruits and seeds of wampee [Clausena lansium (Lour.) Skeels],
J. Food Comp. Anal., 2007, 20, 1, 52-56, https://doi.org/10.1016/j.jfca.2006.07.002
. [all data]
Lin, Peng, et al., 2007
Lin, L.-Y.; Peng, C.-H.; Wang, H.-E.; Wu, T.-H.; Chen, C.-C.; Yu, T.-H.; Wu, C.-M.; Peng, R.Y.,
Factors affecting solid phase microextraction (SPME) to concentrate the odorants of Chinese white salted noodles for GC-MS analysis,
Flavour Fragr. J., 2007, 22, 4, 274-279, https://doi.org/10.1002/ffj.1792
. [all data]
Mu, Wang, et al., 2007
Mu, R.; Wang, X.; Liu, S.; Yuan, X.; Wang, S.; Fan, Z.,
Rapid Determination of Volatile Compounds in Toona sinensis (A. Juss.) Roem. by MAE-HS-SPME Followed by GC-MS,
Chromatographia, 2007, 65, 7-8, 463-467, https://doi.org/10.1365/s10337-007-0183-0
. [all data]
Cramer, Mattinson, et al., 2005
Cramer, A.-C.J.; Mattinson, D.S.; Fellman, J.K.; Baik, B.-K.,
Analysis of volatile compounds from various types of barley cultivars,
J. Agric. Food Chem., 2005, 53, 19, 7526-7531, https://doi.org/10.1021/jf0506939
. [all data]
Turchini, Giani, et al., 2005
Turchini, G.M.; Giani, I.; Caprino, F.; Moretti, V.M.M.; Valfre, F.,
Discrimination of origin og farmed trout by means of biometrical parameters, fillet composition and flavor volatile compounds,
Ital. J. Animal Sci., 2005, 3, 123-140. [all data]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Moretti, Madonia, et al., 2004
Moretti, V.M.; Madonia, G.; Diaferia, C.; Mentasti, T.; Paleari, M.A.; Panseri, S.; Pirone, G.; Gandini, G.,
Chemical and microniological parameters and sensory attributes of a typical Sicilian salami ripened in different conditions,
Meat Sci., 2004, 66, 4, 845-854, https://doi.org/10.1016/j.meatsci.2003.08.006
. [all data]
Turchimi, Mentasti, et al., 2004
Turchimi, G.N.; Mentasti, T.; Carpino, F.; Panseri, S.; Moretti, V.M.; Valfre, F.,
Effects of dietary lipid sources on flavour volatile compounds of brown trout (Salmo trurra L.) fillet,
J. Appl. Ichtyol., 2004, 20, 1, 71-75, https://doi.org/10.1046/j.0175-8659.2003.00522.x
. [all data]
Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l
. [all data]
Young, Lane, et al., 2003
Young, O.A.; Lane, G.A.; Priolo, A.; Fraser, K.,
Pastoral and species flavour in lambs raised on pasture, lucerne or maize,
J. Sci. Food Agric., 2003, 83, 2, 93-104, https://doi.org/10.1002/jsfa.1282
. [all data]
Young and Baumeister, 1999
Young, O.A.; Baumeister, B.M.B.,
The effect of diet on the flavour of cooked beef and the odour compounds in beef fat,
N.Z. J. Agric. Res., 1999, 42, 3, 297-304, https://doi.org/10.1080/00288233.1999.9513379
. [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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