2,4-Hexadienal
- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChI: InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
- IUPAC Standard InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N
- CAS Registry Number: 80466-34-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Hexa-2,4-dienal; 2,4-Hexadien-1-al
- Information on this page:
- Other data available:
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon L | 120. | 892. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 160. | 908. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1408. | Tressl, Friese, et al., 1978 | He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 70. C; Tend: 190. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 905. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 902. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 907. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | HP-1 | 872. | Cavalli, Fernandez, et al., 2003 | 50. m/0.2 mm/0.33 μm, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | HP-1 | 876. | Cavalli, Fernandez, et al., 2003 | 50. m/0.2 mm/0.33 μm, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | CP Sil 8 CB | 915. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 907. | Guichard and Souty, 1988 | H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C |
| Packed | Apiezon M | 887. | Golovnya and Uraletz, 1971 | N2, Celite 545, 6. K/min; Column length: 1.5 m; Tstart: 75. C; Tend: 200. C |
| Packed | Apiezon M | 889. | Golovnya and Uraletz, 1971 | N2, Celite 545, 6. K/min; Column length: 1.5 m; Tstart: 75. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 904. | Varlet, Serot, et al., 2007 | 30. m/0.32 mm/0.5 μm, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min) |
| Capillary | DB-5MS | 904. | Varlet V., Knockaert C., et al., 2006 | 30. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) |
| Capillary | SE-54 | 918. | Triqui and Reineccius, 1995 | 30. m/0.32 mm/0.3 μm, He; Program: 35C (2min) => 40 C/min => 50C (1min) => 6C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1397. | Calvo-Gómez, Morales-López, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-2 | 913. | Ceva-Antunes, Bizzo, et al., 2006 | 25. m/0.25 mm/0.33 μm, H2, 40. C @ 2. min, 3. K/min, 280. C @ 10. min |
| Capillary | HP-1 | 875. | Cavalli, Fernandez, et al., 2004 | 50. m/0.2 mm/0.33 μm, N2, 2. K/min, 250. C @ 20. min; Tstart: 60. C |
| Capillary | SPB-1 | 899. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
| Capillary | SPB-1 | 879. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
| Capillary | SE-30 | 876. | Heydanek and McGorrin, 1981 | 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 911. | Beaulieu J.C. and Lea J.M., 2006 | 30. m/0.25 mm/0.75 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) |
| Capillary | DB-5 | 910. | Qian and Reineccius, 2003 | 30. m/0.32 mm/1. μm; Program: 35C(4min) => 2C/min => 130C => 4C/min => 250C |
| Capillary | SE-54 | 910. | Suzuki and Bailey, 1985 | Column length: 50. m; Column diameter: 0.32 mm; Program: 35C(5min) => 8C/min => 200C => 2C/min => 250C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1406. | Kumazawa, Wada, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | Supelcowax-10 | 1397. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
| Capillary | Supelcowax-10 | 1402. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
| Capillary | HP-FFAP | 1368. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1441. | Vichi, Guadayol, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [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]
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]
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]
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]
Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques,
J. Agric. Food Chem., 2007, 55, 11, 4518-4525, https://doi.org/10.1021/jf063468f
. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A.,
Flavor development in the ripening of anchovy (Engraulis encrasicholus L.),
J. Agric. Food Chem., 1995, 43, 2, 453-458, https://doi.org/10.1021/jf00050a037
. [all data]
Calvo-Gómez, Morales-López, et al., 2004
Calvo-Gómez, O.; Morales-López, J.; López, M.G.,
Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of garlic oil obtained by hydrodistillation,
J. Chromatogr. A, 2004, 1036, 1, 91-93, https://doi.org/10.1016/j.chroma.2004.02.072
. [all data]
Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C.,
Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME),
LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007
. [all data]
Cavalli, Fernandez, et al., 2004
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cievelier, L.; Loiseau, A.-M.,
Characterization of volatile compounds of French and Spanish virgin olive oil by HS-SPME: identification of quality-freshness markers,
Food Chem., 2004, 88, 1, 151-157, https://doi.org/10.1016/j.foodchem.2004.04.003
. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats,
J. Agric. Food Chem., 1981, 29, 5, 1093-1095, https://doi.org/10.1021/jf00107a051
. [all data]
Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M.,
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction,
J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l
. [all data]
Qian and Reineccius, 2003
Qian, M.; Reineccius, G.,
Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method,
Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194
. [all data]
Suzuki and Bailey, 1985
Suzuki, J.; Bailey, M.E.,
Direct sampling capillary GLC analysis of flavor volatiles from ovine fat,
J. Agric. Food Chem., 1985, 33, 3, 343-347, https://doi.org/10.1021/jf00063a006
. [all data]
Kumazawa, Wada, et al., 2006
Kumazawa, K.; Wada, Y.; Masuda, H.,
Characterization of epoxydecenal isomers as potent odorants in black tea (Dimbula) infusion,
J. Agric. Food Chem., 2006, 54, 13, 4795-4801, https://doi.org/10.1021/jf0603127
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma,
Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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