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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Normal alkane RI, non-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 | SLB-5 MS | SLB-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph |
Column length (m) | 30. | 30. | |||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | not specified | not specified | not specified | not specified |
I | 1030. | 1030. | 1030. | 1035. | 1020. |
Reference | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VF-5 MS | Polydimethyl siloxane, 5 % phenyl | HP-5 MS | BPX-5 | ZB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
I | 1040. | 1020. | 1039. | 1031. | 1032. |
Reference | Liu, Lu, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | Fan, Lu, et al., 2009 | Ortiz, Echeverra, et al., 2009 | de Simon, Estruelas, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | DB-5 MS | HP-1 | Methyl Silicone | HP-5 |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.32 | |
Phase thickness (μm) | 0.25 | 1.0 | 0.33 | 0.25 | |
Program | 30 0C (50 min) 2 0C/min -> 90 0C 30 0C/min -> 300 0C (3 min) | -10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min) | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | not specified | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) |
I | 1015. | 1031. | 1008. | 1019. | 1031. |
Reference | Zhang and Liang, 2009 | Watanabe, Ueda, et al., 2008 | Barra, Baldovini, et al., 2007 | Chen and Feng, 2007 | Dou, Li, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | HP-5 | 5 % Phenyl methyl siloxane | Methyl Silicone | RTX-5 |
Column length (m) | 60. | 30. | 30. | ||
Carrier gas | Helium | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 1.0 | 0.75 | 0.25 | ||
Program | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) | not specified | not specified |
I | 1028. | 1019. | 1031. | 1019. | 1015. |
Reference | Liu, Xu, et al., 2007 | Splivallo, Bossi, et al., 2007 | Beaulieu J.C. and Lea J.M., 2006 | Kou, Zhang, et al., 2006 | Ádámová, Orinák, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | BPX-5 | HP-5 | DB-5 | SPB-5 |
Column length (m) | 60. | 60. | 50. | 50. | 60. |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.25 | 1.05 | 1.05 | 1. |
Program | -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | not specified |
I | 1048. | 1043. | 1030. | 1030. | 1028. |
Reference | Blunden, Aneja, et al., 2005 | Duflos, Moine, et al., 2005 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 | Begnaud, Pérès, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | Polydimethyl siloxane | BPX-5 | DB-1 | HP-5MS |
Column length (m) | 60. | 60. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | |
Program | 35C => 5C/min => 120C => 2C/min => 160C => 7C/min => 250C | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | 60C => 4C/min => 200C (5min) => 10C/min => 280C (20min) | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
I | 1028. | 1013. | 1029. | 1020. | 1034. |
Reference | Chung, Heymann, et al., 2003 | Junkes, Castanho, et al., 2003 | Machiels, van Ruth, et al., 2003 | Variyar, Ahmad, et al., 2003 | Ansorena, Gimeno, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | HP-5 | RSL-150 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 60. | 60. | 60. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.50 | 0.52 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min) | 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
I | 1038. | 1033. | 1020. | 1015. | 1015. |
Reference | Madruga, Arruda, et al., 2000 | Timón, Ventanas, et al., 1998 | Buchbauer, Nikiforov, et al., 1994 | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SE-30 | DB-1 | DB-1 | OV-1 |
Column length (m) | 60. | 30. | 30. | |
Carrier gas | N2 | H2 | H2 | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | ||
Program | 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min) | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified |
I | 1014. | 1018. | 1018. | 1037. |
Reference | Ibrahim and Suffet, 1988 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
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Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
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VOC BinBase, 2012
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Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y.,
Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS,
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Skogerson, Wohlgemuth, et al., 2011
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Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S.,
effect of fermentation on free and bound volatile compounds of orange juice,
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Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I.,
Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
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Zhang and Liang, 2009
Zhang, L.; Liang, Y.,
Dissimilarity analysis and automatic identification of monomethylalkanes from gas chromatography mass spectrometry data. 1. Principle and protocol,
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Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N.,
Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry,
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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),
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Chen and Feng, 2007
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QSPR study on gas chromatography retention index of some organic pollutants,
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Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F.,
Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods,
Journal of Tea Science, 2007, 27, 1, 51-60. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
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Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
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Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M.,
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction,
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Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J.,
Stidy on the relationships between structures and gas chromatographic retention indices of alcohols,
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Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
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Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
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Duflos, Moine, et al., 2005
Duflos, G.; Moine, F.; Coin, V.M.; Malle, P.,
Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry,
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Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
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Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
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Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L.,
Characterization of volatile effluents of livestock buildings by solid-phase microextraction,
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Chung, Heymann, et al., 2003
Chung, S.-J.; Heymann, H.; Grün, I.U.,
Application of GPA and PLSR in correlating sensory and chemical data sets,
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Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
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Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
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Variyar, Ahmad, et al., 2003
Variyar, P.S.; Ahmad, R.; Bhat, R.; Niyas, Z.; Sharma, A.,
Flavoring components of raw monsooned Arabica coffee and their changes during radiation processing,
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Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
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Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G.,
Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat,
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Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C.,
Volatile compounds in supercritical carbon dioxide extracts of Iberian ham,
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Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B.,
Headspace constituents of opium,
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Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
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Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
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Ibrahim and Suffet, 1988
Ibrahim, E.A.; Suffet, I.H.,
Freon FC-113, an Alternative to Methylene Chloride for Liquid-Liquid Extraction of Trace Organics from Chlorinated Drinking Water,
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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,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
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Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
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Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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