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, non-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 | Packed | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | DB-5 | VF-5 MS |
Column length (m) | 2. | 60. | 100. | 25. | 60. |
Carrier gas | Nitrogen | Helium | Helium | Helium | Helium |
Substrate | Chromosorb G AW DMCS (80-100 mesh) | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.32 | |
Phase thickness (μm) | 1.0 | 0.50 | 0.33 | 0.25 | |
Tstart (C) | 100. | 45. | 20. | 50. | 30. |
Tend (C) | 300. | 210. | 220. | 240. | 260. |
Heat rate (K/min) | 3.6 | 15. | 20. | 2. | |
Initial hold (min) | 1.45 | 15. | 1. | ||
Final hold (min) | 2.72 | 30. | 28. | ||
I | 421. | 458. | 454. | 459. | 426. |
Reference | MHA, 9999 | Bramston-Cook, 2013 | Supelco, 2012 | Cais-Sokolinska, Majcher, et al., 2011 | Leffingwell and Alford, 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VF-5 MS | RTX-5 | 5 % Phenyl methyl siloxane | SPB-5 | HP-1 |
Column length (m) | 60. | 60. | 30. | 60. | 50. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 0.33 |
Tstart (C) | 30. | 40. | 40. | 40. | 60. |
Tend (C) | 260. | 205. | 250. | 230. | 250. |
Heat rate (K/min) | 2. | 4. | 7. | 3. | 2. |
Initial hold (min) | 5. | 10. | 5. | 4. | |
Final hold (min) | 28. | 5. | 5. | 5. | 30. |
I | 429. | 477. | 482. | 444. | 440. |
Reference | Leffingwell and Alford, 2011 | Berdague, Tournayre, et al., 2007 | Ramirez R. and Cava R., 2007 | Vasta, Ratel, et al., 2007 | Castel, Fernandez, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | RSL-200 | BP-1 | DB-5MS |
Column length (m) | 30. | 60. | 30. | 50. | 30. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.75 | 0.25 |
Tstart (C) | 35. | 30. | 40. | 50. | 40. |
Tend (C) | 200. | 260. | 280. | 200. | 250. |
Heat rate (K/min) | 3. | 2. | 6. | 5. | 3. |
Initial hold (min) | 5. | 2. | 5. | 1. | |
Final hold (min) | 28. | 5. | |||
I | 445. | 427.0 | 440. | 450. | 427.4 |
Reference | Isidorov, Purzynska, et al., 2006 | Leffingwell and Alford, 2005 | Ngassoum, Jirovetz, et al., 2001 | Health Safety Executive, 2000 | Shoenmakers, Oomen, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-1 | DB-1 |
Column length (m) | 25. | 60. | 30. | 60. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.33 | 0.5 | ||
Tstart (C) | 50. | 30. | 35. | 30. |
Tend (C) | 180. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 4. | 10. | 4. |
Initial hold (min) | 3. | 25. | 1. | 25. |
Final hold (min) | 20. | 20. | ||
I | 450. | 440. | 436. | 440. |
Reference | Jung, Wichmann, et al., 1999 | Buttery, Ling, et al., 1997 | Robacker and Bartelt, 1997 | Hansen, Buttery, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J.,
The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk,
African J. Biotechnol., 2011, 10, 37, 7245-7252. [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S.,
Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102
. [all data]
Ramirez R. and Cava R., 2007
Ramirez R.; Cava R.,
Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes,
J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l
. [all data]
Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods,
Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502
. [all data]
Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330
. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [all data]
Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M.,
VOC emission of polymeric packaging materials,
LaborPraxis, 1999, 23, 9, 20-22. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J.,
Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION,
J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233
. [all data]
Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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