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, 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 | VF-Wax MS | CP Wax 52 CB | DB-Wax | DB-Wax | TR-WAX |
| Column length (m) | 60. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 230. | 230. | 240. | 200. |
| Heat rate (K/min) | 3. | 4. | 3. | 5. | 3. |
| Initial hold (min) | 5. | 2. | 2. | 10. | |
| Final hold (min) | 25. | 15. | 5. | 10. | |
| I | 1358. | 1386. | 1366. | 1374. | 1366. |
| Reference | Duarte, Dias, et al., 2010 | Birtic, Ginies, et al., 2009 | Zhao, Xu, et al., 2009 | Dury-Brun, Fournier, et al., 2007 | Tena N., Lazzez A., et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax Etr | Innowax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | He | Nitrogen | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 35. | 70. |
| Tend (C) | 230. | 220. | 240. | 235. | 230. |
| Heat rate (K/min) | 4. | 2. | 5. | 2. | 2. |
| Initial hold (min) | 2. | 1. | 4. | 2. | |
| Final hold (min) | 5. | 10. | 30. | 30. | 20. |
| I | 1352. | 1410. | 1369. | 1389. | 1362. |
| Reference | Xu, Fan, et al., 2007 | Perestrelo, Fernandes, et al., 2006 | Joichi, Yomogida, et al., 2005 | Qian and Wang, 2005 | Choi, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 50. | 60. | 30. | 30. | 30. |
| Carrier gas | H2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 180. | 230. | 185. | 200. | 200. |
| Heat rate (K/min) | 3. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 4. | 10. | 10. |
| Final hold (min) | 30. | 25. | 20. | ||
| I | 1360. | 1365. | 1379. | 1366. | 1361. |
| Reference | Narain, Almeida, et al., 2004 | Dregus and Engel, 2003 | Lee and Noble, 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | DB-Wax | FFAP | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 50. | 40. | 50. |
| Tend (C) | 200. | 220. | 220. | 240. | 220. |
| Heat rate (K/min) | 3. | 4. | 4. | 3. | 4. |
| Initial hold (min) | 10. | 4. | 4. | 5. | 3. |
| Final hold (min) | 20. | 20. | |||
| I | 1359. | 1362. | 1365. | 1384. | 1369. |
| Reference | Vichi, Pizzale, et al., 2003, 2 | Osorio, Duque, et al., 2002 | Osorio, Duque, et al., 2002 | Ducruet, Fournier, et al., 2001 | Weckerle, Bastl-Borrmann, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | Nitrogen | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 50. | 40. | 40. | 40. | 35. |
| Tend (C) | 180. | 200. | 200. | 200. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 5. |
| Initial hold (min) | 10. | 2. | 2. | 5. | |
| Final hold (min) | 40. | 20. | |||
| I | 1400. | 1370. | 1365. | 1365. | 1385. |
| Reference | Lee and Shibamoto, 2000 | Tamura, Boonbumrung, et al., 2000 | Umano, Hagi, et al., 2000 | Umano, Nakahara, et al., 1999 | Campeanu, Burcea, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | CBP-20 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 25. | 60. | 30. | 30. |
| Carrier gas | 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 | |||
| Tstart (C) | 60. | 35. | 50. | 20. | 50. |
| Tend (C) | 240. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 4. | 4. | ||
| Final hold (min) | 40. | 10. | 10. | ||
| I | 1370. | 1351. | 1374. | 1326. | 1334. |
| Reference | Lamarque, Maestri, et al., 1998 | Quiroz A. and Niemeyer H.M., 1998 | Wada and Shibamoto, 1997 | Morales, Albarracín, et al., 1996 | Morales, Albarracín, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 60. | 60. |
| Carrier gas | He | Hydrogen | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | ||
| Tstart (C) | 40. | 30. | 60. | 50. | 30. |
| Tend (C) | 200. | 190. | 180. | 230. | 180. |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 2. |
| Initial hold (min) | 3. | 6. | 4. | 0.1 | 2. |
| Final hold (min) | 30. | 10. | |||
| I | 1368. | 1413. | 1380. | 1363. | 1367. |
| Reference | Wong and Lai, 1996 | Young, Gilbert, et al., 1996 | Kawakami, Ganguly, et al., 1995 | Binder, Flath, et al., 1989 | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 30. |
| Tend (C) | 180. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1367. |
| Reference | Takeoka, Flath, et al., 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
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Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines,
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Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Dury-Brun, Fournier, et al., 2007
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A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O),
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Tena N., Lazzez A., et al., 2007
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Volatile compounds characterizing tunisian chemiali and chetoui virgin olive oils,
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Xu, Fan, et al., 2007
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Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
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Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
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Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
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Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Choi, 2004
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
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Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
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Dregus and Engel, 2003
Dregus, M.; Engel, K.-H.,
Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks,
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Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
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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,
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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,
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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,
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Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
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Ducruet, Fournier, et al., 2001
Ducruet, V.; Fournier, N.; Saillard, P.; Feigenbaum, A.; Guichard, E.,
Influence of packaging on the aroma stability of strawberry syrup during shelf life,
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Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
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Lee and Shibamoto, 2000
Lee, K.-G.; Shibamoto, T.,
Antioxidant properties of aroma compounds isolated from soybeans and mung beans,
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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,
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Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
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Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
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Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
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Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
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Quiroz A. and Niemeyer H.M., 1998
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Olfactometer-assessed responses of aphid Rhopalosiphum padi to wheat and oat volatiles,
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Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
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Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
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Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
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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,
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Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
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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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Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
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Notes
Go To: Top, Normal alkane RI, 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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