Pyrazine, 2-methoxy-3-(1-methylethyl)-

Formula: C₈H₁₂N₂O
Molecular weight: 152.1937
IUPAC Standard InChI: InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
IUPAC Standard InChIKey: NTOPKICPEQUPPH-UHFFFAOYSA-N
CAS Registry Number: 25773-40-4
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-Isopropyl-3-methoxypyrazine; 2-Methoxy-3-isopropylpyrazine; 3-Isopropyl-2-methoxypyrazine
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Other data available:
- Mass spectrum (electron ionization)
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Normal alkane RI, polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SOLGel-Wax	SOLGel-Wax	DB-Wax	FFAP	FFAP
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium		Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.50	0.25	0.25
Program	40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)	not specified	40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min)	50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min)	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)
I	1432.	1443.	1445.	1398.	1427.
Reference	Johanningsmeier and McFeeters, 2011	Johanningsmeier and McFeeters, 2011	Ferreira, Juan, et al., 2009	Bel Rhild, Fleury, et al., 2002	Buettner and Schieberle, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP-Wax 52CB	FFAP	FFAP	Carbowax 20M	Superox 0.6; Carbowax 20M
Column length (m)	50.	30.	30.		50.
Carrier gas	He	He	He		Hydrogen
Substrate
Column diameter (mm)	0.25	0.32	0.32		0.32
Phase thickness (μm)	0.2	0.25	0.25
Program	30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C	not specified	not specified
I	1429.	1428.	1428.	1400.	1410.
Reference	Jakobsen, Hansen, et al., 1998	Schermann and Schieberle, 1997	Schermann and Schieberle, 1997	Mihara and Masuda, 1987	Waggott and Davies, 1984
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Column length (m)	50.	50.
Carrier gas	Hydrogen	Hydrogen
Substrate
Column diameter (mm)	0.32	0.32
Phase thickness (μm)
Program	not specified	not specified
I	1400.	1410.
Reference	Waggott and Davies, 1984	Waggott and Davies, 1984
Comment	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J., Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data, J. Agr. Food. Chem., 2009, 57, 16, 7490-7498, https://doi.org/10.1021/jf9006483 . [all data]

Bel Rhild, Fleury, et al., 2002
Bel Rhild, R.; Fleury, Y.; Devaud, S.; Fay, L.B.; Blank, I.; Juillerat, M.A., Biogeneration of roasted noted based on 2-acetyl-2-thiazoline and the precursor 2-(1-hydroxyethyl)-4,5-dihydrothiazole, 2002, retrieved from http://www.imrablank.ch/ACS₂002₈26₁79.pdf. [all data]

Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P., Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing, Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [all data]

Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E., Aroma volatiles of blanched green peas (Pisum sativum L.), J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [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]

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, Normal alkane RI, polar column, custom temperature program, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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