3-Hexenal, (Z)-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
- IUPAC Standard InChIKey: GXANMBISFKBPEX-ARJAWSKDSA-N
- CAS Registry Number: 6789-80-6
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: cis-3-Hexenal; 3-(Z)-Hexenal; cis-β,γ-Hexylenic aldehyde; (3Z)-3-Hexenal; Hex-cis-3-enal; (Z)-3-Hexen-1-al; (Z)-3-Hexenal; (Z)-Hex-3enal
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | RTX-5Sil | SE-54 | SE-54 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.053 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 100. | 45. | 40. |
| Tend (C) | 200. | 260. | 250. | 230. | 290. |
| Heat rate (K/min) | 3. | 2. | 5. | 3. | 7. |
| Initial hold (min) | 5. | 5. | 1. | ||
| Final hold (min) | 10. | ||||
| I | 802. | 799. | 796. | 802. | 797. |
| Reference | Holland, Larkov, et al., 2005 | Kilic, Hafizoglu, et al., 2004 | Kilic, Hafizoglu, et al., 2004 | Darriet, Pons, et al., 2002 | Lin, Rouseff, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | DB-5 | Optima 1 | SE-54 | SE-54 |
| Column length (m) | 50. | 25. | 30. | 30. | |
| Carrier gas | N2 | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.52 | 0.52 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 1.5 | |
| Tstart (C) | 80. | 34. | 50. | 5. | 5. |
| Tend (C) | 200. | 200. | 200. | 230. | 230. |
| Heat rate (K/min) | 2. | 5. | 3. | 6. | 6. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 10. | ||||
| I | 834. | 798. | 829. | 800. | 800. |
| Reference | Yang, 2001 | Schlüter, Steinhart, et al., 1999 | Fons, Rapior, et al., 1998 | Milo and Grosch, 1996 | Milo and Grosch, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | OV-101 | SPB-1 | RTX-5 | DB-1 |
| Column length (m) | 12. | 12. | 50. | 30. | 60. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.52 | 0.32 |
| Phase thickness (μm) | 0.33 | 1.5 | |||
| Tstart (C) | 35. | 35. | 40. | 5. | 30. |
| Tend (C) | 225. | 225. | 200. | 230. | 200. |
| Heat rate (K/min) | 6. | 6. | 3. | 6. | 4. |
| Initial hold (min) | 3. | 3. | 3. | 25. | |
| Final hold (min) | 30. | 20. | |||
| I | 770. | 770. | 766. | 800. | 769. |
| Reference | Roberts and Acree, 1996 | Roberts and Acree, 1996 | Wong and Lai, 1996 | Milo and Grosch, 1995 | Hansen, Buttery, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | OV-1 | OV-3 | DB-1 |
| Column length (m) | 60. | 60. | 50. | 150. | 50. |
| Carrier gas | He | He | Hydrogen | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.315 | 0.20 | 0.66 | 0.32 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 30. | 50. | 50. | 20. | 0. |
| Tend (C) | 200. | 250. | 200. | 170. | 250. |
| Heat rate (K/min) | 4. | 4. | 1. | 1. | 3. |
| Initial hold (min) | 25. | ||||
| Final hold (min) | 5. | 35. | |||
| I | 765. | 769. | 834. | 820. | 779. |
| Reference | Buttery, Teranishi, et al., 1990 | Engel, Flath, et al., 1988 | Wu, Liou, et al., 1987 | Buttery, Xu, et al., 1985 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Holland, Larkov, et al., 2005
Holland, D.; Larkov, O.; Bar-Ya'akov, I.; Bar, E.; Zax, A.; Brandeis, E.; Ravid, U.; Lewinsohn, E.,
Developmental and varietal differences in volatile ester formation and acetyl-CoA: alcohol acetyl transferase activities in apple (Malus domestica Borkh.) fruit,
J. Agric. Food Chem., 2005, 53, 18, 7198-7203, https://doi.org/10.1021/jf050519k
. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237
. [all data]
Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D.,
Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae,
J. Agric. Food Chem., 2002, 50, 11, 3277-3282, https://doi.org/10.1021/jf011527d
. [all data]
Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M.,
Aroma composition changes in early season grapefruit juice produced from thermal concentration,
J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g
. [all data]
Yang, 2001
Yang, R.,
Volatile compounds in peel oil of Citrus sudachi,
Food Sci. (Beijing), 2001, 22, 3, 71-73. [all data]
Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604
. [all data]
Fons, Rapior, et al., 1998
Fons, F.; Rapior, S.; Gargadennec, A.; Andary, C.; Bessiere, J.-M.,
Volatile components of Plantago lanceolata (Plantaginaceae),
Acta bot. Gallica, 1998, 145, 4, 265-269, https://doi.org/10.1080/12538078.1998.10516306
. [all data]
Milo and Grosch, 1996
Milo, C.; Grosch, W.,
Changes in the odorants of boiled salmon and cod as affected by the storage of the raw material,
J. Agric. Food Chem., 1996, 44, 8, 2366-2371, https://doi.org/10.1021/jf9507203
. [all data]
Roberts and Acree, 1996
Roberts, D.D.; Acree, T.E.,
Effects of heating and cream addition on fresh raspberry aroma using a retronasal aroma simulator and gas chromatography olfactometry,
J. Agric. Food Chem., 1996, 44, 12, 3919-3925, https://doi.org/10.1021/jf950701t
. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1
. [all data]
Milo and Grosch, 1995
Milo, C.; Grosch, W.,
Detection of odor defects in boiled cod and trout by gas chromatography-olfactometry of headspace samples,
J. Agric. Food Chem., 1995, 43, 2, 459-462, https://doi.org/10.1021/jf00050a038
. [all data]
Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029
. [all data]
Buttery, Teranishi, et al., 1990
Buttery, R.G.; Teranishi, R.; Ling, L.C.; Turnbaugh, J.G.,
Quantitative and sensory studies on tomato paste volatiles,
J. Agric. Food Chem., 1990, 38, 1, 336-340, https://doi.org/10.1021/jf00091a074
. [all data]
Engel, Flath, et al., 1988
Engel, K.-H.; Flath, R.A.; Buttery, R.G.; Mon, T.R.; Ramming, D.W.; Teranishi, R.,
Investigation of volatile constituents in nectarines. 1. Analytical and sensory characterization of aroma components in some nectarine cultivars,
J. Agric. Food Chem., 1988, 36, 3, 549-553, https://doi.org/10.1021/jf00081a036
. [all data]
Wu, Liou, et al., 1987
Wu, C.-M.; Liou, S.-E.; Chang, Y.-H.; Chiang, W.,
Volatile compounds of the wax gourd (Benincasa hispida, Cogn) and a wax gourd beverage,
J. Food Sci., 1987, 52, 1, 132-134, https://doi.org/10.1111/j.1365-2621.1987.tb13988.x
. [all data]
Buttery, Xu, et al., 1985
Buttery, R.G.; Xu, C.; Ling, L.C.,
Volatile components of wheat leaves (and stems): Possible insect attractants,
J. Agric. Food Chem., 1985, 33, 1, 115-117, https://doi.org/10.1021/jf00061a033
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Notes
Go To: Top, Normal alkane 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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