3-Hexen-1-ol, acetate, (Z)-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
- IUPAC Standard InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N
- CAS Registry Number: 3681-71-8
- 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. - Isotopologues:
- Stereoisomers:
- Other names: cis-3-Hexenyl Acetate; cis-3-Hexenyl-1-acetate; Acetic acid cis-3-hexenyl ester; 3-Hexenol acetate, cis; 3(Z)-Hexenyl acetate; cis-3-Hexen-1-ol, acetate; cis-Hex-3-enyl acetate; Hex-3(Z)-enyl acetate; (Z)-3-Hexen-1-ol acetate; (Z)-3-Hexen-1-yl, acetate; (Z)-3-Hexenol acetate; (Z)-3-Hexenyl acetate; Z-Hex-3-en-1-yl acetate; (Z)-Hex-3-enyl acetate; (3Z)-3-Hexenyl acetate
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Van Den Dool and Kratz RI, 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 | SOLGel-Wax | SOLGel-Wax | SOLGel-Wax | Stabilwax | Stabilwax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1. |
| Program | 35C(5min) => 3C/min => 150C => 5C/min => 250C(10 min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
| I | 1298. | 1298. | 1298. | 1317. | 1338. |
| Reference | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Wang, Finn, et al., 2005 | Wang, Finn, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | Stabilwax | HP-Innowax | FFAP | HP-Innowax |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 1. | 0.5 | 0.25 | 0.25 |
| Program | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(4min) => 10C/min => 70C => 5C/min => 150C => 10C/min => 250C (10min) | 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min) | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C |
| I | 1338. | 1331. | 1321. | 1320. |
| Reference | Klesk, Qian, et al., 2004 | Koprivnjak, Conte, et al., 2002 | Derail, Hofmann, et al., 1999 | Bisio, Ciarallo, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H.,
Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes,
J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541
. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
. [all data]
Koprivnjak, Conte, et al., 2002
Koprivnjak, O.; Conte, L.; Totis, N.,
Influence of olive fruit storage in bags on oil quality and composition of volatile compounds,
Food Technol. Biotechnol., 2002, 40, 2, 129-134. [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]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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