Phenol, 2-(1,1-dimethylethyl)-6-methyl-

Formula: C₁₁H₁₆O
Molecular weight: 164.2441
IUPAC Standard InChI: InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
IUPAC Standard InChIKey: BKZXZGWHTRCFPX-UHFFFAOYSA-N
CAS Registry Number: 2219-82-1
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: o-Cresol, 6-tert-butyl-; o-tert-Butyl-o-cresol; 2-tert-Butyl-6-Methylphenol; 2-Methyl-6-tert-butylphenol; 6-tert-Butyl-o-Cresol; 6-tert-Butyl-2-Methylphenol; Phenol, 2-tert-butyl-6-methyl-
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Gas Chromatography

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

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

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Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1277.7	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	1313.5	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
Capillary	VF-5MS	1305.3	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 1C/min =>
Capillary	VF-5MS	1308.	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 2C/min =>
Capillary	VF-5MS	1311.7	Mjøs, Meier, et al., 2006	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 30C/min => 100C => 4C/min =>

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1910.	Vernin, Lageot, et al., 2001	50. m/0.22 mm/0.25 μm, He, 2. K/min; T_start: 60. C; T_end: 220. 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]

Mjøs, Meier, et al., 2006
Mjøs, S.A.; Meier, S.; Boitsov, S., Alkylphenol retention indices, J. Chromatogr. A, 2006, 1123, 1, 98-105, https://doi.org/10.1016/j.chroma.2006.05.002 . [all data]

Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C., Analysis of the essential oil of Lippia graveolens HBK from El Salvador, Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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