2,3-Dimethyl-5-isopentylpyrazine

Formula: C₁₁H₁₈N₂
Molecular weight: 178.2740
IUPAC Standard InChI: InChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
IUPAC Standard InChIKey: OGUJUYCURMHXHG-UHFFFAOYSA-N
CAS Registry Number: 18450-01-6
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: 5-Isopentyl-2,3-dimethylpyrazine; Pyrazine, 2,3-dimethyl-5-(3-methylbutyl)
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1646.	Mahadevan and Farmer, 2006	60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	PEG-20M	1680.	Shimoda, Nakada, et al., 1997	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	1680.	Shimoda, Shiratsuchi, et al., 1996	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	1332.	Welty, Marshall, et al., 2001	He, 40. C @ 5. min, 5. K/min, 220. C @ 5. min; Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-101	1317.	Mihara and Masuda, 1987	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1655.	Mihara and Masuda, 1987	Program: not specified

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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [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]

Welty, Marshall, et al., 2001
Welty, W.M.; Marshall, R.T.; Grün, I.U.; Ellersieck, M.R., Effects of Milk Fat, Cocoa Butter, or Selected Fat Replacers on Flavor Volatiles of Chocolate Ice Cream, J. Dairy Sci., 2001, 84, 1, 21-30, https://doi.org/10.3168/jds.S0022-0302(01)74447-5 . [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]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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