3-Hexenal, (Z)-
- Formula: C6H10O
- Molecular weight: 98.1430
- 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:
Van Den Dool and Kratz 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 | SE-54 | DB-5MS | DB-5MS | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.05 | 1.05 |
| Program | 40C(2min) => 6C/min => 150C => 20C/min => 230C | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min) | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) |
| I | 800. | 803. | 799. | 803. | 803. |
| Reference | Schuh and Schieberle, 2006 | Zheng, Kim, et al., 2005 | Zheng, Kim, et al., 2005 | Carrapiso, Jurado, et al., 2002 | Carrapiso, Ventanas, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 8 CB | RTX-5 | DB-5 | CP Sil 8 CB | DB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 35C(2min) => 5C/min => 170C => 20C/min => 240C (10min) | not specified | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| I | 800. | 800. | 796. | 797. | 785. |
| Reference | Fuhrmann and Grosch, 2002 | Fuhrmann and Grosch, 2002 | Beaulieu and Grimm, 2001 | Steinhaus and Schieberle, 2000 | Boulanger, Chassagne, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | SE-54 | SE-54 | SE-54 | SE-54 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 35C (2min) => 40C/min => 50C => 4C/min => 230C (10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | not specified |
| I | 798. | 793. | 798. | 798. | 800. |
| Reference | Buettner and Schieberle, 1999 | Derail, Hofmann, et al., 1999 | Hinterholzer, Lemos, et al., 1998 | Hinterholzer and Schieberie, 1998 | Heiler and Schieberle, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-54 |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Program | not specified |
| I | 795. |
| Reference | Ullrich and Grosch, 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P.,
Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion,
J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n
. [all data]
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Carrapiso, Jurado, et al., 2002
Carrapiso, A.I.; Jurado, Á.; Timón, M.L.; García, C.,
Odor-active compounds of Iberian hams with different aroma characteristics,
J. Agric. Food Chem., 2002, 50, 22, 6453-6458, https://doi.org/10.1021/jf025526c
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P.,
Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques,
J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l
. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P.,
Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure,
J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P.,
Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques,
Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S
. [all data]
Heiler and Schieberle, 1997
Heiler, C.; Schieberle, P.,
Model studies on the precursors and formation of the metallic smelling (E,Z)-2,6-nonadienol during the manufacture and storage of buttermilk,
Int. Dairy J., 1997, 7, 10, 667-674, https://doi.org/10.1016/S0958-6946(97)00069-1
. [all data]
Ullrich and Grosch, 1988
Ullrich, F.; Grosch, W.,
Identification of the most intense odor compounds formed during autoxidation of methyl linolenate at room temperature,
J. Amer. Oil Chem. Soc., 1988, 65, 8, 1313-1317, https://doi.org/10.1007/BF02542413
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.
© 2026 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.
