2-Ethoxy-3-ethylpyrazine
- Formula: C8H12N2O
- Molecular weight: 152.1937
- IUPAC Standard InChI: InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: TYSHGGVMHVIOMH-UHFFFAOYSA-N
- CAS Registry Number: 35243-43-7
- 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: 3-Ethyl-2-ethoxypyrazine; Pyrazine, 2-ethoxy-3-ethyl; Pyrazine, 3-ethoxy-2-ethyl
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Philip Morris R&D |
| NIST MS number | 109738 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1101. | Mihara and Masuda, 1988 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1101. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1101. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1127. | Hartmann, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min) |
| Capillary | HP-5 | 1127. | Hartmann, McNair, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: 40C (5min) => 10C/min => 80C => 20C/min => 230C (5min) |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1101. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1439. | Mihara and Masuda, 1988 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1439. | Mihara and Enomoto, 1985 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1439. | Mihara and Masuda, 1987 | Program: not specified |
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1439. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mihara and Masuda, 1988
Mihara, S.; Masuda, H.,
Structure-odor relationships for disubstituted pyrazines,
J. Agric. Food Chem., 1988, 36, 6, 1242-1247, https://doi.org/10.1021/jf00084a029
. [all data]
Mihara and Masuda, 1987
Mihara, S.; Masuda, H.,
Correlation between molecular structures and retention indices of pyrazines,
J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8
. [all data]
Mihara and Enomoto, 1985
Mihara, S.; Enomoto, N.,
Calculation of retention indices of pyrazines on the basis of molecular structure,
J. Chromatogr., 1985, 324, 428-430, https://doi.org/10.1016/S0021-9673(01)81342-X
. [all data]
Hartmann, 2003
Hartmann, P.J.,
The effect of wine matrix ingredients on 3-alkyl-2-methoxypyrazines measurements by headspace solid-phase microextraction (HS-SPME), Master's Thesis, Virginia Tech., Blacksburg, Va., 2003, 30. [all data]
Hartmann, McNair, et al., 2002
Hartmann, P.J.; McNair, H.M.; Zoecklein, B.W.,
Measurement of 3-alkyl-2-methoxypyrazine by headspace solid-phase microextraction in spiked model wines,
Am. J. Enol. Vitic, 2002, 53, 4, 285-288. [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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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