3-Hexen-1-ol, acetate, (E)-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: NPFVOOAXDOBMCE-SNAWJCMRSA-N
- CAS Registry Number: 3681-82-1
- 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. - Species with the same structure:
- Isotopologues:
- Stereoisomers:
- Other names: (3E)-Hexenyl acetate; (E)-3-Hexen-1-ol acetate; (E)-3-Hexen-1-yl acetate; (E)-3-Hexenol acetate; (E)-3-Hexenyl acetate; (E)-Hex-3-enol acetate; trans-3-Hexen-1-ol, acetate; trans-3-Hexenyl acetate; (3E)-3-Hexenyl acetate; (E)-hex-3-enyl acetate
- 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 | HP-5 | DB-5 | HP-1 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Hydrogen | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Tstart (C) | 70. | 40. | 60. | 60. | 60. |
Tend (C) | 290. | 250. | 250. | 240. | 240. |
Heat rate (K/min) | 5. | 4. | 2. | 3. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 5. | 20. | |||
I | 1008. | 990. | 987. | 1001. | 1005. |
Reference | Radulovic, Dordevic, et al., 2010 | Xu, Fan, et al., 2007 | Berlioz, Cordella, et al., 2006 | Miyazawa, Nishiguchi, et al., 2005 | Kobaisy, Tellez, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | HP-5 | DB-5 | Optima 1 |
Column length (m) | 30. | 30. | 25. |
Carrier gas | N2 | He | Helium |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. |
Tend (C) | 220. | 240. | 200. |
Heat rate (K/min) | 5. | 3. | 3. |
Initial hold (min) | 10. | ||
Final hold (min) | |||
I | 1005. | 1005. | 989. |
Reference | Gallori, Flamini, et al., 2001 | Tellez, Canel, et al., 1999 | Fons, Rapior, et al., 1998 |
Comment | 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Berlioz, Cordella, et al., 2006
Berlioz, B.; Cordella, C.; Cavalli, J.-F.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Fernandez, X.,
Comparison of the amounts of volatile compounds in French protected designation of origin virgin olive oils,
J. Agric. Food Chem., 2006, 54, 26, 10092-10101, https://doi.org/10.1021/jf061796+
. [all data]
Miyazawa, Nishiguchi, et al., 2005
Miyazawa, M.; Nishiguchi, T.; Yamafuji, C.,
Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey,
Flavour Fragr. J., 2005, 20, 2, 158-160, https://doi.org/10.1002/ffj.1335
. [all data]
Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8
. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8
. [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]
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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