1,2,4-Trimethoxybenzene

Formula: C₉H₁₂O₃
Molecular weight: 168.1898
IUPAC Standard InChI: InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
IUPAC Standard InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N
CAS Registry Number: 135-77-3
Chemical structure:
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Other names: Benzene, 1,2,4-trimethoxy-
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1331.3	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1377.8	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1374.	Li, Lee, et al., 2006	30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 250. C @ 20. min

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	AT-Wax	2094.	Kiss, Csoka, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	AT-Wax	2133.	Kiss, Csoka, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	PEG-20M	2095.	Awano, Honda, et al., 1997	He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 210. C

References

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Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Li, Lee, et al., 2006
Li, Z.-G.; Lee, M.-R.; Shen, D.-L., Analysis of volatile compounds emitted from fresh Syringa oblata flowers in different florescence by headspace solid-phase microextraction-gas chromatography-mass spectrometry, Anal. Chim. Acta., 2006, 576, 1, 43-49, https://doi.org/10.1016/j.aca.2006.01.074 . [all data]

Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K., Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary, J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]

Awano, Honda, et al., 1997
Awano, K.; Honda, T.; Ogawa, T.; Suzuki, S.; Matsunaga, Y., Volatile components of Phalaenopsis schilleriana Rehb. f., Flavour Fragr. J., 1997, 12, 5, 341-344, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<341::AID-FFJ657>3.0.CO;2-L . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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