Ethanol

Formula: C₂H₆O
Molecular weight: 46.0684
IUPAC Standard InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
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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Information on this page:
Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 77
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
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Van Den Dool and Kratz RI, polar column, temperature ramp

Go To: Top, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-FFAP	DB-Wax	DB-Wax	DB-Wax	CP-Wax 52CB
Column length (m)	30.	30.	60.	30.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.5	0.5	0.25	0.5	0.25
T_start (C)	35.	40.	40.	40.	40.
T_end (C)	225.	240.	265.	265.	250.
Heat rate (K/min)	4.	7.	7.	7.	4.
Initial hold (min)	5.
Final hold (min)	30.	5.	5.	5.
I	939.	937.	933.	941.	934.
Reference	Jarunrattanasri, Theerakulkait, et al., 2007	Mahattanatawee K., Perez-Cacho P.R., et al., 2007	Gurbuz O., Rouseff J.M., et al., 2006	Gurbuz O., Rouseff J.M., et al., 2006	Kourkoutas, Elmore, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	DB-Wax	DB-Wax	DB-Wax	Carbowax
Column length (m)	60.	60.	60.	30.	60.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	1.	1.	0.25	0.5
T_start (C)	35.	45.	45.	40.	50.
T_end (C)	195.	250.	250.	250.	250.
Heat rate (K/min)	6.	5.	5.	3.	5.
Initial hold (min)	5.	1.	1.		10.
Final hold (min)	60.	12.	12.	20.	10.
I	888.	947.	955.	900.	948.8
Reference	Chung, Fung, et al., 2005	Malliaa, Fernandez-Garcia, et al., 2005	Malliaa, Fernandez-Garcia, et al., 2005	Brat, Rega, et al., 2003	Censullo, Jones, 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	FFAP	DB-Wax	DB-Wax
Column length (m)	60.	30.	30.	60.	60.
Carrier gas		He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	20.	50.	50.
T_end (C)	200.	200.	200.	230.	230.
Heat rate (K/min)	3.	6.	4.	2.	2.
Initial hold (min)	5.	5.	1.
Final hold (min)	60.	30.	1.	60.
I	935.	930.	956.	932.	925.
Reference	Cha, Kim, et al., 1998	Cha, Kim, et al., 1998	Ott, Fay, et al., 1997	Shimoda, Shiratsuchi, et al., 1996	Shimoda, Shigematsu, et al., 1995
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	HP-20M	HP-FFAP
Column length (m)	30.	60.	60.	50.	50.
Carrier gas	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
T_start (C)	40.	50.	50.	60.	60.
T_end (C)	200.	230.	230.	190.	210.
Heat rate (K/min)	2.	2.	2.	3.	3.
Initial hold (min)	5.
Final hold (min)		60.	60.
I	944.	947.	947.	929.	936.
Reference	Iwaoka, Hagi, et al., 1994	Shiratsuchi, Shimoda, et al., 1994	Shiratsuchi, Shimoda, et al., 1994, 2	Chung, Eiserich, et al., 1993	Chung, Eiserich, et al., 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Packed
Active phase	DB-Wax	DB-Wax	Carbowax 20M	DB-Wax	Carbowax 20M
Column length (m)	60.	60.	3.05	60.	3.05
Carrier gas				He
Substrate					Supelcoport
Column diameter (mm)	0.25	0.25		0.25
Phase thickness (μm)	0.25	0.25
T_start (C)	50.	50.	40.	35.	40.
T_end (C)	230.	230.	200.	180.	200.
Heat rate (K/min)	2.	2.	8.	3.	8.
Initial hold (min)	4.	4.		5.	4.
Final hold (min)	30.	30.	60.
I	930.	930.	944.	938.	944.
Reference	Shiratsuchi, Shimoda, et al., 1993	Shiratsuchi, Shimoda, et al., 1993	Peng, 1992	Stashenko, Macku, et al., 1992	Peng, Yang, et al., 1991
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Carbowax 20M	OV-351	OV-351	OV-351	Carbowax 20M
Column length (m)	50.	25.	25.	25.
Carrier gas	He	N2	N2	N2	He
Substrate
Column diameter (mm)	0.32	0.33	0.33	0.33
Phase thickness (μm)
T_start (C)	50.	100.	100.	100.	50.
T_end (C)	200.				160.
Heat rate (K/min)	2.	10.	2.	6.	1.
Initial hold (min)	5.				10.
Final hold (min)	40.
I	929.	893.	920.	918.	908.
Reference	Chen, Kuo, et al., 1986	Korhonen, 1985	Korhonen, 1985	Korhonen, 1985	Chen, Kuo, et al., 1982
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Packed
Active phase	Carbowax 20M
Column length (m)
Carrier gas
Substrate	Celite 545
Column diameter (mm)
Phase thickness (μm)
T_start (C)	75.
T_end (C)	228.
Heat rate (K/min)	4.6
Initial hold (min)
Final hold (min)
I	897.
Reference	van den Dool and Kratz, 1963
Comment	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [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]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [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]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Off-flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014 . [all data]

Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [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]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Peng, 1992
Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 1992, 160, 2, 449-460, https://doi.org/10.1007/BF02037120 . [all data]

Stashenko, Macku, et al., 1992
Stashenko, H.; Macku, C.; Shibamato, T., Monitoring volatile chemicals formed from must during yeast fermentation, J. Agric. Food Chem., 1992, 40, 11, 2257-2259, https://doi.org/10.1021/jf00023a040 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M., Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.), J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038 . [all data]

Korhonen, 1985
Korhonen, I.O.O., Gas-liquid chromatographic analyses. XXXIX. ω-Chloroethanols on low-polarity (SE-30) and polar (OV-351) capillary columns, J. Chromatogr., 1985, 324, 181-191, https://doi.org/10.1016/S0021-9673(01)81317-0 . [all data]

Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M., Headspace components of passion fruit juice, J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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