Ethanol
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
- CAS Registry Number: 64-17-5
- 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. - Isotopologues:
- Other names: Ethyl alcohol; Alcohol; Alcohol anhydrous; Algrain; Anhydrol; Denatured ethanol; Ethyl hydrate; Ethyl hydroxide; Jaysol; Jaysol S; Methylcarbinol; SD Alchol 23-hydrogen; Tecsol; C2H5OH; Absolute ethanol; Cologne spirit; Fermentation alcohol; Grain alcohol; Molasses alcohol; Potato alcohol; Aethanol; Aethylalkohol; Alcohol, dehydrated; Alcool ethylique; Alcool etilico; Alkohol; Cologne spirits; Denatured alcohol CD-10; Denatured alcohol CD-5; Denatured alcohol CD-5a; Denatured alcohol SD-1; Denatured alcohol SD-13a; Denatured alcohol SD-17; Denatured alcohol SD-23a; Denatured alcohol SD-28; Denatured alcohol SD-3a; Denatured alcohol SD-30; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Etanolo; Ethanol 200 proof; Ethyl alc; Etylowy alkohol; EtOH; NCI-C03134; Spirits of wine; Spirt; Alkoholu etylowego; Ethyl alcohol anhydrous; SD alcohol 23-hydrogen; UN 1170; Tecsol C; Alcare Hand Degermer; Absolute alcohol; Denatured alcohol; Ethanol, silent spirit; Ethylol; Punctilious ethyl alcohol; SD 3A
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Normal alkane 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 | DB-Wax | Carbowax 20M | HP-Innowax | DB-Wax | CP-Wax 52 CB |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | ||
Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | not specified | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified |
I | 923. | 951. | 942. | 929. | 939. |
Reference | Gyawali and Kim, 2012 | Lee, Chong, et al., 2012 | Feng, Zhuang, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Povolo, Cabassi, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | Supelko CO Wax | Supelko CO Wax | DB-Wax | FFAP |
Column length (m) | 30. | 60. | 60. | 60. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
Program | 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | not specified | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
I | 943. | 935. | 932. | 923. | 912. |
Reference | Cajka, Riddellova, et al., 2010 | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 | Gyawali and Kim, 2009 | Ortiz, Echeverra, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax 10 | PEG 20M | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
Column length (m) | 50. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | not specified |
I | 928. | 910. | 932. | 937. | 924. |
Reference | Soria, Martinez-Castro, et al., 2008 | Zhang, Zhang, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Dury-Brun, Fournier, 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 | FFAP | HP-Innowax | BP-20 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Hydrogen | Hydrogen | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Program | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C |
I | 934. | 929. | 932. | 930. | 929. |
Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Lara, Echeverría, et al., 2007 | Narain, Galvao, et al., 2007 | Pontes, Marques, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-20 | PEG-20M | DB-Wax | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C | 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min) | 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
I | 929. | 910. | 927. | 905. | 905. |
Reference | Pontes, Marques, et al., 2007 | Zhang C., Zhang H., et al., 2007 | Gyawalia, Seo, et al., 2006 | Kourkoutas, Bosnea, et al., 2006 | Kourkoutas, Kandylis, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | DB-FFAP | FFAP | DB-Wax |
Column length (m) | 50. | 60. | 30. | 50. | 60. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.2 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
I | 932. | 916. | 930. | 932. | 941. |
Reference | Lara, Graell, et al., 2006 | Mattheis, Fan, et al., 2005 | Buettner, 2004 | Echeverría, Correa, et al., 2004 | Kim. J.H., Ahn, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | HP-FFAP | FFAP | Cross-linked FFAP |
Column length (m) | 50. | 50. | 50. | ||
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | ||
Phase thickness (μm) | 0.33 | 0.33 | 0.33 | ||
Program | not specified | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) |
I | 922. | 940. | 932. | 936. | 936. |
Reference | Vinogradov, 2004 | Vinogradov, 2004 | Echeverria, Fuentes, et al., 2003 | Lopez, Lavilla, et al., 2000 | Lavilla, Puy, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | CP-Wax 52CB | FFAP | Polyethylene Glycol | DB-Wax |
Column length (m) | 60. | 50. | 50. | 60. | |
Carrier gas | He | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.2 | 0.25 | |
Phase thickness (μm) | 1. | 0.2 | 0.33 | 0.25 | |
Program | 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) | not specified | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
I | 950. | 926. | 936. | 925. | 934. |
Reference | Forney and Jordan, 1998 | Jakobsen, Hansen, et al., 1998 | López, Lavilla, et al., 1998 | Zenkevich, Korolenko, et al., 1995 | Mattheis, Buchanan, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 20M |
Column length (m) | 60. | 50. | |||
Carrier gas | He | Hydrogen | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | |||
Phase thickness (μm) | 0.25 | ||||
Program | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | not specified | not specified | not specified | not specified |
I | 934. | 944. | 900. | 940. | 919. |
Reference | Mattheis, Buchanan, et al., 1992 | Peng, Yang, et al., 1991 | Shibamoto, 1987 | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
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Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
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Miyazaki, Plotto, et al., 2011
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Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
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Povolo, Cabassi, et al., 2011
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Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction,
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Traceability of olive oil based on volatiles pattern and multivariante analysis,
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Volatile organic compounds of medicinal values from Nepalese Acorus calamus L.,
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Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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Effect of carrot (Daucus carota) antifreeze proteins on texture preperties of frozen dough and volatile compounds of crumb,
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Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities,
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Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.),
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Kourkoutas, Bosnea, et al., 2006
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Multivariate analysis of modifications in biosynthesis of volatile compounds after CA storage of 'Fuji' apples,
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Buettner, A.,
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Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis,
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Induction of volatile compounds in broccoli by postharvest hot-water dips,
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López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M.,
Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples,
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Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B.,
Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases,
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Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
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Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
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,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Notes
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