Thiophene, 2-ethyl-
- Formula: C6H8S
- Molecular weight: 112.193
- IUPAC Standard InChIKey: JCCCMAAJYSNBPR-UHFFFAOYSA-N
- CAS Registry Number: 872-55-9
- 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-Ethylthiophene; 2-Ethylthiophenol
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Van Den Dool and Kratz 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 | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | Mega 5MS | BPX-5 |
Column length (m) | 60. | 20. | 20. | 60. | 50. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.18 | 0.18 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 0.18 | 0.18 | 0.25 | 0.5 |
Tstart (C) | 40. | 60. | 60. | 60. | 60. |
Tend (C) | 260. | 220. | 220. | 240. | 250. |
Heat rate (K/min) | 4. | 8. | 8. | 3. | 4. |
Initial hold (min) | 2. | 3. | 3. | 5. | |
Final hold (min) | 10. | 5. | 5. | 20. | |
I | 871. | 846. | 847. | 871. | 880. |
Reference | Methven L., Tsoukka M., et al., 2007 | Rochat S., de Saint Laumer J.Y., et al., 2007 | Rochat S., de Saint Laumer J.Y., et al., 2007 | Condurso, Verzera, et al., 2006 | Bredie, Mottram, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP Sil 8 CB | BPX-5 | BPX-5 | CP Sil 8 CB |
Column length (m) | 60. | 60. | 50. | 50. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 280. | 280. | 250. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 15. |
Initial hold (min) | 2. | 2. | 5. | 5. | 2. |
Final hold (min) | 10. | 10. | |||
I | 870. | 870. | 872. | 872. | 868. |
Reference | Elmore, Campo, et al., 2002 | Elmore, Campo, et al., 2002 | Ames, Guy, et al., 2001 | Ames, Guy, et al., 2001 | Elmore and Mottram, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | OV-101 | DB-1 | DB-1 |
Column length (m) | 30. | 50. | 50. | 60. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.5 | 1.05 | 0.25 |
Tstart (C) | 60. | 50. | 40. | 40. |
Tend (C) | 250. | 200. | 260. | 220. |
Heat rate (K/min) | 4. | 4. | 2. | 2. |
Initial hold (min) | 5. | |||
Final hold (min) | 20. | 40. | 10. | |
I | 871. | 861. | 844. | 844. |
Reference | Madruga and Mottram, 1998 | Misharina, Golovnya, et al., 1993 | Izzo and Ho, 1991 | Zhang and Ho, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611
. [all data]
Rochat S., de Saint Laumer J.Y., et al., 2007
Rochat S.; de Saint Laumer J.Y.; Chaintreau A.,
Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2007, 1147, 1, 85-94, https://doi.org/10.1016/j.chroma.2007.02.039
. [all data]
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour,
J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662
. [all data]
Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S.,
Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids,
J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718
. [all data]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [all data]
Elmore and Mottram, 2000
Elmore, J.S.; Mottram, D.S.,
Formation of 2-alkyl-(2H)-thiapyrans and 2-Alkylthiophenes in cooked beef and lamb,
J. Agric. Food Chem., 2000, 48, 6, 2420-2424, https://doi.org/10.1021/jf000124v
. [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]
Misharina, Golovnya, et al., 1993
Misharina, T.A.; Golovnya, R.V.; Beletsky, I.V.,
Sorption properties of heterocyclic compounds differing by heteroatom in capillary gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 1993, 42, 7, 1167-1170, https://doi.org/10.1007/BF00701998
. [all data]
Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T.,
Isolation and identification of the volatile components of an extruded autolyzed yeast extract,
J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029
. [all data]
Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T.,
Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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