3-Hexen-1-ol, (Z)-
- 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-ARJAWSKDSA-N
- CAS Registry Number: 928-96-1
- 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: (Z)-Hex-3-en-1-ol; cis-3-Hexen-1-ol; cis-3-Hexene-1-ol; cis-3-Hexenol; Blatteralkohol (German); Leaf alcohol; Z-3-Hexenol; 3-(Z)-Hexenol; Blatteralkohol; 3-Hexen-1-ol, cis-; 3-Hexenol, cis-; 3-(Z)-Hexen-1-ol; c-3-Hexen-1-ol; cis-Hex-3-en-1ol; cis-Hex-3-enol; Hex-3( Z)-en-1-ol; Hex-3(Z)-enol; (Z)-Hex-3-ene-1-ol; (Z)Hex-3-enol; (Z)-3-Hexen-1-ol; 3-Hexen-1-ol, (3Z)-; β,γ-Hexenol; HEXEN-30L-1; 3-Hexen-1-ol; (3Z)-3-Hexen-1-ol; cis-3-1-Hexenol
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Kovats' 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-5MS | CP Sil 8 CB | HP-5MS | BP-1 | BP-1 |
| Column length (m) | 60. | 30. | 30. | 60. | 25. |
| Carrier gas | He | H2 | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.55 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 50. | 60. | 60. |
| Tend (C) | 250. | 220. | 250. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 5. |
| Initial hold (min) | 1. | 2. | 10. | ||
| Final hold (min) | 20. | 5. | 15. | ||
| I | 855. | 854. | 858. | 846. | 849. |
| Reference | Jalali-Heravi, Zekavat, et al., 2006 | Tayoub, Schwob, et al., 2006 | Asuming, Beauchamp, et al., 2005 | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | BP-1 | SE-54 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 25. | 30. | 30. | 25. |
| Carrier gas | N2 | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.55 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 220. | 220. | 246. | 235. | 280. |
| Heat rate (K/min) | 5. | 5. | 3. | 15. | 5. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 13. | 15. | 2. | ||
| I | 839. | 834. | 857. | 858. | 841. |
| Reference | Shawl, Srivastava, et al., 2002 | Jain, Aggarwal, et al., 2001 | Adams, 2000 | Dickens, 1999 | Kaul, Gujral, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | BP-1 | DB-5 | OV-101 | SPB-1 |
| Column length (m) | 30. | 25. | 30. | 25. | 50. |
| Carrier gas | He | N2 | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 70. | 60. | 60. | 50. | 35. |
| Tend (C) | 250. | 220. | 240. | 200. | 200. |
| Heat rate (K/min) | 3. | 5. | 3. | 5. | 3. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | ||||
| I | 851. | 831. | 857. | 847. | 847. |
| Reference | Siani, Ramos, et al., 1999 | Kulkarni, Mallavarapu, et al., 1998 | Tellez, Estell, et al., 1997 | Menut, Molangui, et al., 1995 | Wong and Tie, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | BP-1 | DB-1 | DB-1 |
| Column length (m) | 60. | 60. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.23 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | |
| Tstart (C) | 30. | 30. | 30. | 40. | 40. |
| Tend (C) | 210. | 210. | 200. | 250. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 12. | 4. |
| Initial hold (min) | 4. | 4. | 2. | 4. | |
| Final hold (min) | |||||
| I | 843. | 844. | 845. | 863. | 862. |
| Reference | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 | Bartley and Schwede, 1989 | Burns and Tingey, 1983 | Burns and Tingey, 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SF96+Igepal | OV-101 | OV-101 | OV-101 | OV-101 |
| Column length (m) | 127. | 70. | 70. | 70. | 70. |
| Carrier gas | N2 | N2 | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.75 | 0.28 | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | |||||
| Tstart (C) | 70. | 80. | 80. | 80. | 80. |
| Tend (C) | 190. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 1. | 2. | 2. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 852. | 846. | 847. | 849. | 847. |
| Reference | Palma-Fleming and Kepner, 1983 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1979 | Yamaguchi and Shibamoto, 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Dickens, 1999
Dickens, J.C.,
Predator-prey interactions: olfactory adaptations of generalist and specialist predators,
Agric. For. Entomol., 1999, 1, 1, 47-54, https://doi.org/10.1046/j.1461-9563.1999.00007.x
. [all data]
Kaul, Gujral, et al., 1999
Kaul, V.K.; Gujral, R.K.; Singh, B.,
Volatile constituents of the essential oil of flowers of Rosa brunonii Lindl,
Flavour Fragr. J., 1999, 14, 1, 9-11, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<9::AID-FFJ761>3.0.CO;2-C
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Fredrickson, E.L.; Havstad, K.M.,
Essential oil of Dyssodia acerosa DC.,
J. Agric. Food Chem., 1997, 45, 8, 3276-3278, https://doi.org/10.1021/jf9701502
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
J. Agric. Food Chem., 1995, 43, 5, 1267-1271, https://doi.org/10.1021/jf00053a026
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Bartley and Schwede, 1989
Bartley, J.P.; Schwede, A.M.,
Production of volatile componds in ripening kiwi fruit (Actinidia chinensis),
J. Agric. Food Chem., 1989, 37, 4, 1023-1025, https://doi.org/10.1021/jf00088a046
. [all data]
Burns and Tingey, 1983
Burns, W.F.; Tingey, D.T.,
GC/MS Analysis of biogenic volatile hydrocarbons on a chemically-bonded fused silica column,
J. Chromatogr. Sci., 1983, 21, 8, 341-345, https://doi.org/10.1093/chromsci/21.8.341
. [all data]
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Notes
Go To: Top, Kovats' 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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