3-Hexen-1-ol, (E)-
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
- IUPAC Standard InChIKey: UFLHIIWVXFIJGU-ONEGZZNKSA-N
- CAS Registry Number: 928-97-2
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Stereoisomers:
- Other names: trans-3-Hexen-1-ol; trans-3-Hexenol; E-3-Hexenol; (E)-Hex-3-en-1-ol; 3(E)-hexen-1-ol; (3E)-Hexenol; (E)-3-Hexen-1-ol; (E)-Hex-3-enol; trans-Hex-3-en-1-ol; (3E)-3-Hexen-1-ol
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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 MS | HP-5 | HP-5 MS | DB-5 MS | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 10. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.10 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.40 |
| Tstart (C) | 70. | 70. | 70. | 40. | 40. |
| Tend (C) | 290. | 290. | 290. | 250. | 280. |
| Heat rate (K/min) | 5. | 5. | 5. | 4. | 20. |
| Initial hold (min) | 2. | 1. | |||
| Final hold (min) | 10. | 10. | 2. | 1. | |
| I | 844. | 852. | 844. | 850. | 864. |
| Reference | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Radulovic, Blagojevic, et al., 2009 | Su, Wang, et al., 2009 | Mildner-Szkudlarz and Jelen, 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5MS | DB-5 | ZB-5 | MDN-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 40. | 40. |
| Tend (C) | 300. | 280. | 240. | 260. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 6. | 20. |
| Initial hold (min) | 5. | 4.6 | 1. | ||
| Final hold (min) | 1. | 1. | |||
| I | 848. | 857. | 842. | 862. | 864. |
| Reference | Apel, Sobral, et al., 2006 | Setzer, Noletto, et al., 2006 | Miyazawa, Nishiguchi, et al., 2005 | Jürgens and Dötterl, 2004 | Mildner-Szkudlarz, Jelen, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | SPB-1 | SPB-1 | HP-5 | OV-101 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | N2 | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 40. | 60. | 40. |
| Tend (C) | 200. | 200. | 200. | 220. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 2. |
| Initial hold (min) | 10. | 10. | 10. | 10. | 10. |
| Final hold (min) | |||||
| I | 836. | 836. | 836. | 852. | 830. |
| Reference | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Vichi, Pizzale, et al., 2003, 2 | Gallori, Flamini, et al., 2001 | Tamura, Boonbumrung, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CBP-1 | HP-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 25. | 30. | 30. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 35. | 50. | 50. | 50. |
| Tend (C) | 240. | 200. | 240. | 240. | 250. |
| Heat rate (K/min) | 4. | 5. | 5. | 5. | 4. |
| Initial hold (min) | 5. | 3. | 3. | ||
| Final hold (min) | 5. | ||||
| I | 830. | 825. | 826. | 829. | 830. |
| Reference | Lamarque, Maestri, et al., 1998 | Quiroz A. and Niemeyer H.M., 1998 | Shiota, 1993 | Shiota, 1993 | Binder, Flath, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.315 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 844. |
| Reference | Engel, Flath, et al., 1988 |
| Comment | 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, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
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]
Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M.,
Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov,
J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R
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Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H.,
The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil,
Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053
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Apel, Sobral, et al., 2006
Apel, M.A.; Sobral, M.; Zuanazzi, J.A.S.; Henriques, A.T.,
Essential oil composition of four Plinia species (Myrtaceae),
Flavour Fragr. J., 2006, 21, 3, 565-567, https://doi.org/10.1002/ffj.1638
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Setzer, Noletto, et al., 2006
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.,
Chemical composition of the floral essential oil of Randia matudae from Monteverde, Costa Rica,
Flavour Fragr. J., 2006, 21, 2, 244-246, https://doi.org/10.1002/ffj.1567
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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
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Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
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Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E.,
Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation,
Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X
. [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
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Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: modifications induced by oxidation and suitable markers of oxidative status,
J. Agric. Food Chem., 2003, 51, 22, 6564-6571, https://doi.org/10.1021/jf030268k
. [all data]
Vichi, Pizzale, et al., 2003, 2
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
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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
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Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
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Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth.,
Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5
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Quiroz A. and Niemeyer H.M., 1998
Quiroz A.; Niemeyer H.M.,
Olfactometer-assessed responses of aphid Rhopalosiphum padi to wheat and oat volatiles,
J. Chem. Ecol., 1998, 24, 1, 113-124, https://doi.org/10.1023/A:1022393029987
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Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
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Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
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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,
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. [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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