1-Hexadecanol, TMS derivative

Formula: C₁₉H₄₂OSi
Molecular weight: 314.6217
IUPAC Standard InChI: InChI=1S/C19H42OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h5-19H2,1-4H3
IUPAC Standard InChIKey: JTMICAOGVLZKRG-UHFFFAOYSA-N
CAS Registry Number: 6221-90-5
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Silane, (hexadecyloxy)trimethyl-; 1-Trimethylsiloxyhexadecane; 1-Hexadecanol, O-TMS; Hexadecan-1-ol, O-TMS
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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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	SE-30	140.	1938.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	140.	1942.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1965.	Peng, 1992	15. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min; T_end: 250. C
Capillary	OV-1	1965.	Harvey, 1989	50. m/0.30 mm/0.52 μm, He, 2. K/min; T_start: 130. C; T_end: 280. 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	1955.1	Zheng and White, 2008	30. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	Methyl Silicone	1965.	Peng, Yang, et al., 1991	Program: not specified

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

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1959.	Peng, 1992	8. K/min, 200. C @ 60. min; Column length: 3.05 m; T_start: 40. C
Packed	Carbowax 20M	1959.	Peng, Yang, et al., 1991	Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; T_end: 200. C

References

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Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Peng, 1992
Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 1992, 160, 2, 449-460, https://doi.org/10.1007/BF02037120 . [all data]

Harvey, 1989
Harvey, D.J., Identification of long-chain fatty acids and alcohols from human cerumen by the use of picolinyl and nicotinate esters, Biomed. Environ. Mass Spectrom., 1989, 18, 9, 719-723, https://doi.org/10.1002/bms.1200180912 . [all data]

Zheng and White, 2008
Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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