2,6-Dimethoxytoluene

Formula: C₉H₁₂O₂
Molecular weight: 152.1904
IUPAC Standard InChI: InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3
IUPAC Standard InChIKey: FPEUDBGJAVKAEE-UHFFFAOYSA-N
CAS Registry Number: 5673-07-4
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: Benzene, 1,3-dimethoxy-2-methyl-; 2-Methylresorcinol, dimethyl ether; 1,3-Dimethoxy-2-methylbenzene
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Other data available:
- IR Spectrum
- 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	Temperature (C)	I	Reference	Comment
Packed	Apiezon L	200.	1243.	Bogoslovsky, Anvaer, et al., 1978

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1264.1	Tret'yakov, 2008	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1224.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1225.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	SPB-5	1266.	Kim, Kim, et al., 2000	60. m/0.25 mm/0.25 μm, He, 70. C @ 8. min, 5. K/min, 240. C @ 20. min

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	1783.	Kim, Kim, et al., 2000	30. m/0.32 mm/0.25 μm, He, 70. C @ 8. min, 5. K/min, 240. C @ 20. min

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1790.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
Capillary	DB-Wax	1797.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)

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Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S., Antioxidant activity and characterization of volatile constituents of beechwood creosote, J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156 . [all data]

Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S., Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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