1-Hexanol, 2-ethyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
- CAS Registry Number: 104-76-7
- 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. - Other names: 2-Ethyl-1-hexanol; 2-Ethylhexan-1-ol; 2-Ethylhexanol; Ethylhexanol; 2-Ethylhexyl alcohol; 2-Ethyl-hexanol-1; Ethylhexyl alcohol; 2-EH; Hexanol, 2-ethyl-; Hexan-1-ol, 2-ethyl; NSC 9300; 2-Ethyl-1-hexyl alcohol; Ethyl-1-hexanol,2-; Octyl alcohol (Related)
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Van Den Dool and Kratz RI, polar column, custom temperature program
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 | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB | DB-Wax |
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 |
Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 60C => 5C/min => 200C => 6C/min => 250C(5min) |
I | 1492. | 1492. | 1496. | 1483. | 1492. |
Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Romeo, Ziino, et al., 2007 | Guillot, Peytavi, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SOLGel-Wax | DB-Wax | FFAP | CP-Wax 52CB | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.5 |
Program | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 40C(5min) => 10C/min => 160C => 15C/min => 230C | 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C |
I | 1488. | 1518. | 1504. | 1488. | 1490. |
Reference | Aubert, Baumann, et al., 2005 | Hallier, Prost, et al., 2005 | Ranau and Steinhart, 2005 | Verzera, Ziino, et al., 2004 | Pennarun, Prost, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Innowax | DB-Wax | CP-Wax 52CB |
Column length (m) | 30. | 30. | 60. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.22 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.21 | |
Program | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 20C(30s) => fast => 60C => 4C/min => 220C (20min) | 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min) | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) |
I | 1490. | 1481. | 1474. | 1518. | 1490. |
Reference | Pennarun, Prost, et al., 2002 | Cantergiani, Brevard, et al., 2001 | Larráyoz, Addis, et al., 2001 | Ziegleder, 2001 | Madruga and Mottram, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Supelcowax-10 | Carbowax 20M |
Column length (m) | 60. | 150. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.25 | 0.75 |
Phase thickness (μm) | 0.25 | |
Program | 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) | not specified |
I | 1489. | 1450. |
Reference | Baek and Cadwallader, 1996 | Whitfield, Shea, et al., 1981 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A.,
Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS,
Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029
. [all data]
Guillot, Peytavi, et al., 2006
Guillot, S.; Peytavi, L.; Bureau, S.; Boulanger, R.; Lepoutre, J.-P.; Crouzet, J.; Schorr-Galindo, S.,
Aroma characterization of various apricot varieties using headspace-solid phase microextraction combined with gas chromatography-mass spectrometry and gas chromatography-olfactometry,
Food Chem., 2006, 96, 1, 147-155, https://doi.org/10.1016/j.foodchem.2005.04.016
. [all data]
Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H.,
Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes,
J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541
. [all data]
Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T.,
Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish),
J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o
. [all data]
Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H.,
Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry,
Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4
. [all data]
Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M.,
Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses,
Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C.,
Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541
. [all data]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [all data]
Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R.,
Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment,
J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q
. [all data]
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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