2-Octen-1-ol
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
- IUPAC Standard InChIKey: AYQPVPFZWIQERS-VOTSOKGWSA-N
- CAS Registry Number: 22104-78-5
- 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: Oct-2-en-1-ol; 2-Octenol
- Information on this page:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 2690 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PE-Wax | 1603. | Chandravadana, Vekateshwarlu, et al., 2005 | N2, 60. C @ 4. min, 5. K/min, 200. C @ 5. min; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | PE-Wax | 1603. | Venkateshwarlu, Chandravadana, et al., 1999 | N2, 60. C @ 4. min, 5. K/min, 200. C @ 5. min; Column length: 30. m; Column diameter: 0.25 mm |
| Packed | Carbowax 20M | 1577. | Chen, Chen, et al., 1984 | N2, Chromosorb W A/W DMCS, 3. K/min; Column length: 2. m; Tstart: 60. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1039.7 | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | HP-5 | 1060. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1628. | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | ZB-Wax | 1580. | Brunton, Cronin, et al., 2002 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | DB-Wax | 1637. | Mau, Lin, et al., 1998 | 60. m/0.32 mm/0.25 μm, 2. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | DB-Wax | 1637. | Mau, Chyau, et al., 1997 | 30. m/0.53 mm/0.25 μm, N2, 2. K/min, 200. C @ 40. min; Tstart: 40. C |
| Capillary | DB-Wax | 1637. | Mau and Hwang, 1997 | 30. m/0.53 mm/0.25 μm, N2, 2. K/min; Tstart: 50. C; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1647. | Sérot, Regost, et al., 2002 | 30. m/0.32 mm/0.5 μm, He; Program: 50C => 5C/min => 180C => 10C/min => 250C |
| Capillary | DB-Wax | 1645. | Prost, Serot, et al., 1998 | 30. m/0.32 mm/0.5 μm; Program: 50C => 3C/min => 180C => 5C/min => 250C (15min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1066. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
| Capillary | HG-5 | 1071. | Drumm and Spanier, 1991 | 50. m/0.32 mm/0.52 μm, He, 35. C @ 15. min, 3. K/min, 250. C @ 45. min |
| Capillary | DB-1 | 1048. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1045. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
| Capillary | MDN-5 | 1066. | Jelen and Grabarkiewicz-Szczesna, 2005 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | AT-Wax | 1622. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-20 | 1598. | La Guerche S., Dauphin B., et al., 2006 | 50. m/0.22 mm/0.25 μm, H2, 45. C @ 1. min, 3. K/min, 230. C @ 15. min |
| Capillary | DB-Wax | 1617. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1621. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1625. | Young, Gilbert, et al., 1996 | 30. m/0.32 mm/0.50 μm, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C |
| Capillary | Carbowax 20M | 1610. | Seifert and King, 1982 | He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1639. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
| Capillary | Innowax FSC | 1621. | Baser, Özek, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP Innowax FSP | 1621. | Tasdemir, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | DB-Wax | 1616. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chandravadana, Vekateshwarlu, et al., 2005
Chandravadana, M.V.; Vekateshwarlu, G.; Bujji Babu, C.S.; Roy, T.K.; Shivashankara, K.S.; Pandey, M.; Tewari, R.P.; Selvaraj, Y.,
Volatile flavour components of dry milky mushrooms (Calocybe indica),
Flavour Fragr. J., 2005, 20, 6, 715-717, https://doi.org/10.1002/ffj.1653
. [all data]
Venkateshwarlu, Chandravadana, et al., 1999
Venkateshwarlu, G.; Chandravadana, M.V.; Tewari, R.P.,
Volatile flavour components of some edible mushrooms (Basidiomycetes),
Flavour Fragr. J., 1999, 14, 3, 191-194, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<191::AID-FFJ810>3.0.CO;2-7
. [all data]
Chen, Chen, et al., 1984
Chen, C.-C.; Chen, S.-D.; Chen, J.-J.; Wu, C.-M.,
Effects of pH value on the formation of volatiles of shiitake (Lentinus edodes), and edible mushroom,
J. Agric. Food Chem., 1984, 32, 5, 999-1001, https://doi.org/10.1021/jf00125a011
. [all data]
Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
. [all data]
Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J.,
Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat,
Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087
. [all data]
Mau, Lin, et al., 1998
Mau, J.-L.; Lin, Y.-P.; Chen, P.-T.; Wu, Y.-H.; Peng, J.-T.,
Flavor compounds in king oyster mushrooms Pleurotus eryngii,
J. Agric. Food Chem., 1998, 46, 11, 4587-4591, https://doi.org/10.1021/jf980508+
. [all data]
Mau, Chyau, et al., 1997
Mau, J.-L.; Chyau, C.-C.; Li, J.-Y.; Tseng, Y.-H.,
Flavor compounds in straw mushrooms Volvariella volvacea harvested at different stages of maturity,
J. Agric. Food Chem., 1997, 45, 12, 4726-4729, https://doi.org/10.1021/jf9703314
. [all data]
Mau and Hwang, 1997
Mau, J.-L.; Hwang, S.-J.,
Effect of γ-irradiation on flavor compounds of fresh mushrooms,
J. Agric. Food Chem., 1997, 45, 5, 1849-1852, https://doi.org/10.1021/jf960560a
. [all data]
Sérot, Regost, et al., 2002
Sérot, T.; Regost, C.; Arzel, J.,
Identification of odour-active compounds in muscle of brown trout (Salmo trutta) as affected by dietary lipid sources,
J. Sci. Food Agric., 2002, 82, 6, 636-643, https://doi.org/10.1002/jsfa.1096
. [all data]
Prost, Serot, et al., 1998
Prost, C.; Serot, T.; Demaimay, M.,
Identification of the most potent odorants in wild and farmed cooked turbot (Scophtalamus maximus L.),
J. Agric. Food Chem., 1998, 46, 8, 3214-3219, https://doi.org/10.1021/jf980128o
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Drumm and Spanier, 1991
Drumm, T.D.; Spanier, A.M.,
Changes in the content of lipid autoxidation and sulfur-containing compounds in cooked beef during storage,
J. Agric. Food Chem., 1991, 39, 2, 336-343, https://doi.org/10.1021/jf00002a023
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J.,
Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A,
J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396
. [all data]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
La Guerche S., Dauphin B., et al., 2006
La Guerche S.; Dauphin B.; Pons M.; Blancard D.; Darriet P.,
Characterization of some mushroom and earthy off-odors microbially induced by the development of rot on grapes,
J. Agric. Food Chem., 2006, 54, 24, 9193-9200, https://doi.org/10.1021/jf0615294
. [all data]
Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278
. [all data]
Young, Gilbert, et al., 1996
Young, H.; Gilbert, J.M.; Murray, S.H.; Ball, R.D.,
Causal effects of aroma compounds on Royal Gala apple flavours,
J. Sci. Food Agric., 1996, 71, 3, 329-336, https://doi.org/10.1002/(SICI)1097-0010(199607)71:3<329::AID-JSFA588>3.0.CO;2-8
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
Volatile composition of young Cabernet Savignon red wine from Changli Counti (China),
J. Food Composition and Analysis, 2008, 21, 8, 689-694, https://doi.org/10.1016/j.jfca.2008.05.007
. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Tasdemir, Demirci, et al., 2003
Tasdemir, D.; Demirci, B.; Demirci, F.; Dönmez, A.A.; Baser, K.H.C.; Rüedi, P.,
Analysis of the Volatile Components of Five Turkish Rhododendron Species by Headspace Solid-Phase Microextraction and GC-MS (HS-SPME-GC-MS),
Z. Naturforsch., 2003, 58c, 797-803. [all data]
Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M.,
Volatile compounds produced by microorganisms isolated from cork,
Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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