2-Hexen-1-ol, (E)-
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChIKey: ZCHHRLHTBGRGOT-SNAWJCMRSA-N
- CAS Registry Number: 928-95-0
- 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: (E)-2-Hexen-1-ol; trans-2-Hexen-1-Ol; trans-2-Hexenol; 2-Hexenol; 2-Hexen-1-ol, trans-; 2-(E)-Hexenol; (E)-2-Hexene-1-ol; (E)-2-Hexenol; E-Hex-2-en-1-ol; (E)-Hex-2-enol; Hex-2(E)-enol; t-2-Hexen-1-ol; trans-hex-2-en-1-ol
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz 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 | DB-Wax Etr | HP-Wax | DB-Wax | Supelcowax-10 | DB-Wax Etr |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | 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) | 40. | 60. | 50. | 60. | 40. |
Tend (C) | 250. | 220. | 220. | 240. | 245. |
Heat rate (K/min) | 5. | 5. | 4. | 3. | 3. |
Initial hold (min) | 3. | 10. | 4. | 5. | 3. |
Final hold (min) | 15. | 20. | 10. | 20. | |
I | 1409. | 1380. | 1394. | 1403. | 1394. |
Reference | Aubert and Chanforan, 2007 | Flamini, Tebano, et al., 2006 | Osorio, Alarcon, et al., 2006 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Ménager, Jost, et al., 2004 |
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 | Innowax |
Column length (m) | 30. | 30. | 30. | 30. | 15. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 240. | 245. | 245. | 245. | 225. |
Heat rate (K/min) | 6. | 3. | 2. | 2. | 4. |
Initial hold (min) | 10. | 3. | 3. | 3. | 5. |
Final hold (min) | 25. | 20. | 20. | 20. | 20. |
I | 1392. | 1407. | 1406. | 1406. | 1414. |
Reference | Varming, Andersen, et al., 2004 | Aubert, Ambid, et al., 2003 | Aubert, Günata, et al., 2003 | Aubert, Günata, et al., 2003 | Chisholm, Jell, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | AT-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 30. | 30. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.5 |
Tstart (C) | 65. | 35. | 67. | 35. | 60. |
Tend (C) | 250. | 240. | 235. | 220. | 245. |
Heat rate (K/min) | 2. | 5. | 2.7 | 4. | 3. |
Initial hold (min) | 10. | 5. | 0.5 | 3. | |
Final hold (min) | 60. | 5. | 30. | 20. | |
I | 1391. | 1414. | 1444. | 1421.7 | 1406. |
Reference | Pino, Almora, et al., 2003 | Rega, Fournier, et al., 2003 | Claudela, Dirningera, et al., 2002 | Pet'ka, Mocák, et al., 2001 | Wirth, Guo, 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 | CP-Wax 52CB | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.2 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 30. | 40. | 40. |
Tend (C) | 245. | 245. | 220. | 200. | 230. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
Initial hold (min) | 3. | 3. | 1.3 | 5. | 4. |
Final hold (min) | 20. | 20. | 20. | ||
I | 1408. | 1408. | 1390. | 1406. | 1400. |
Reference | Bureau, Baumes, et al., 2000 | Bureau, Razungles, et al., 2000 | Jensen, Christensen, et al., 2000 | Kim, Thuy, et al., 2000 | Ruther, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax | HP-20M |
Column length (m) | 60. | 60. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.425 | |||
Tstart (C) | 40. | 45. | 40. | 40. | 60. |
Tend (C) | 200. | 300. | 200. | 200. | 190. |
Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
Initial hold (min) | 5. | 3. | 5. | 5. | |
Final hold (min) | 60. | 20. | |||
I | 1402. | 1388. | 1407. | 1411. | 1377. |
Reference | Cha, Kim, et al., 1998 | Mondello, Dugo, et al., 1995 | Iwaoka, Hagi, et al., 1994 | Sumitani, Suekane, et al., 1994 | Chung, Eiserich, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | Carbowax 20M | DB-Wax | DB-Wax | CP-Wax 58CB |
Column length (m) | 50. | 25. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.31 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.3 | 0.25 | 0.25 | 0.22 | |
Tstart (C) | 60. | 50. | 50. | 50. | 40. |
Tend (C) | 210. | 200. | 220. | 240. | 220. |
Heat rate (K/min) | 3. | 2. | 4. | 4. | 3. |
Initial hold (min) | 3. | 3. | |||
Final hold (min) | 20. | ||||
I | 1419. | 1387. | 1390. | 1390. | 1389. |
Reference | Chung, Eiserich, et al., 1993 | Suárez and Duque, 1992 | Humpf and Schreier, 1991 | Krammer, Winterhalter, et al., 1991 | Pabst, Barron, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | DB-Wax | Carbowax 20M |
Column length (m) | 25. | 25. | 30. | 50. |
Carrier gas | He | H2 | ||
Substrate | ||||
Column diameter (mm) | 0.31 | 0.31 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | |||
Tstart (C) | 50. | 50. | 40. | 50. |
Tend (C) | 200. | 200. | 220. | 200. |
Heat rate (K/min) | 2. | 2. | 5. | 2. |
Initial hold (min) | 3. | |||
Final hold (min) | 55. | |||
I | 1387. | 1390. | 1390. | 1397. |
Reference | Suárez and Duque, 1991 | Suárez and Duque, 1991 | Frohlich and Schreier, 1990 | Wu and Liou, 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Aubert and Chanforan, 2007
Aubert, C.; Chanforan, C.,
Postharvest Changes in Physicochemical Properties and Volatile Constituents of Apricot (Prunus armeniaca L.). Characterization of 28 Cultivars,
J. Agric. Food Chem., 2007, 55, 8, 3074-3082, https://doi.org/10.1021/jf063476w
. [all data]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Ménager, Jost, et al., 2004
Ménager, I.; Jost, M.; Aubert, C.,
Changes in physicochemical characteristics and volatile constituents of strawberry (Cv. Cigaline) during maturation,
J. Agric. Food Chem., 2004, 52, 5, 1248-1254, https://doi.org/10.1021/jf0350919
. [all data]
Varming, Andersen, et al., 2004
Varming, C.; Andersen, M.L.; Poll, L.,
Influence of thermal treatment on black currant (Ribes nigrum L.) juice aroma,
J. Agric. Food Chem., 2004, 52, 25, 7628-7636, https://doi.org/10.1021/jf049435m
. [all data]
Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z.,
Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation,
J. Agric. Food Chem., 2003, 51, 21, 6280-6286, https://doi.org/10.1021/jf034613h
. [all data]
Aubert, Günata, et al., 2003
Aubert, C.; Günata; Ambid, C.; Baumes, R.,
Changes in physicochemical characteristics and volatile constituents of yellow- and white-fleshed nectarines during maturation and artificial ripening,
J. Agric. Food Chem., 2003, 51, 10, 3083-3091, https://doi.org/10.1021/jf026153i
. [all data]
Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Rega, Fournier, et al., 2003
Rega, B.; Fournier, N.; Guichard, E.,
Solid phase microextraction (SPME) of orange juice flavor: odor representativeness by direct gas chromatography olfactometry (D-GC-O),
J. Agric. Food Chem., 2003, 51, 24, 7092-7099, https://doi.org/10.1021/jf034384z
. [all data]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
. [all data]
Pet'ka, Mocák, et al., 2001
Pet'ka, J.; Mocák, J.; Farkas, P.; Balla, B.; Kovác, M.,
Classification of Slovak varietal white wines by volatile compounds,
J. Sci. Food Agric., 2001, 81, 15, 1533-1539, https://doi.org/10.1002/jsfa.979
. [all data]
Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z.,
Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars,
J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l
. [all data]
Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J.,
Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah,
J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x
. [all data]
Bureau, Razungles, et al., 2000
Bureau, S.M.; Razungles, A.R.; Baumes, R.L.,
The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates,
J. Sci. Food Agric., 2000, 80, 14, 2012-2020, https://doi.org/10.1002/1097-0010(200011)80:14<2012::AID-JSFA738>3.0.CO;2-X
. [all data]
Jensen, Christensen, et al., 2000
Jensen, K.; Christensen, L.P.; Hansen, M.; Jørgensen, U.; Kaack, K.,
Olfactory and quantitative analysis of volatiles in elderberry (Sambucus nigra L) juice processed from seven cultivars,
J. Sci. Food Agric., 2000, 81, 2, 237-244, https://doi.org/10.1002/1097-0010(20010115)81:2<237::AID-JSFA809>3.0.CO;2-H
. [all data]
Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
. [all data]
Ruther, 2000
Ruther, J.,
Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T.,
Volatile chemicals identified in fresh and cooked breadfruit,
J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026
. [all data]
Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K.,
Changes in composition of volatile compounds in high pressure treated peach,
J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037
. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb),
J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033
. [all data]
Suárez and Duque, 1992
Suárez, M.; Duque, C.,
Change in volatile compounds during lulo (Solanum vestissimum D.) fruit maturation,
J. Agric. Food Chem., 1992, 40, 4, 647-649, https://doi.org/10.1021/jf00016a025
. [all data]
Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P.,
Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.),
J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028
. [all data]
Krammer, Winterhalter, et al., 1991
Krammer, G.; Winterhalter, P.; Schwab, M.; Schreier, P.,
Glycosidically bound aroma compounds in the fruits of Prunus species: Apricot (P. armeniaca, L.) peach (P. persica, L.) yellow plum (P. domestica, L. ssp. Syriaca),
J. Agric. Food Chem., 1991, 39, 4, 778-781, https://doi.org/10.1021/jf00004a032
. [all data]
Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P.,
Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp,
J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034
. [all data]
Suárez and Duque, 1991
Suárez, M.; Duque, C.,
Volatile constituents of lulo (Salanum vestissimum D.) fruit,
J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026
. [all data]
Frohlich and Schreier, 1990
Frohlich, O.; Schreier, P.,
Volatile Constituents of Loquat (Eriobotrya japonica Lindl.) Fruit,
J. Food Sci., 1990, 55, 1, 176-180, https://doi.org/10.1111/j.1365-2621.1990.tb06046.x
. [all data]
Wu and Liou, 1986
Wu, C.-M.; Liou, S.-E.,
Effect of tissue disruption of volatile constituents of bell peppers,
J. Agric. Food Chem., 1986, 34, 4, 770-772, https://doi.org/10.1021/jf00070a044
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.