Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester

Formula: C₁₂H₂₈O₃Si₂
Molecular weight: 276.5199
IUPAC Standard InChI: InChI=1S/C12H28O3Si2/c1-8-9-10-11(14-16(2,3)4)12(13)15-17(5,6)7/h11H,8-10H2,1-7H3
IUPAC Standard InChIKey: RQWYRMABBIFEGY-UHFFFAOYSA-N
CAS Registry Number: 54890-07-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2-Hydroxyhexanoic acid di-TMS; 2-Hydroxycaproic acid, bis-TMS; 2-Hydroxycaproic acid, trimethylsilyl ether, trimethylsilyl ester; 2-Hydroxycaproic acid, TMS
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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
Packed	OV-1	1284.	Tanaka, Hine, et al., 1980	N2, 100-120 mesh, 70. C @ 0.5 min, 28. K/min; Column length: 1.8 m; T_end: 290. 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	DB-1	1282.	Tsai, Oliphant, et al., 1985	He; Program: not specified
Packed	OV-101	1284.	Tanaka and Hine, 1982	Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1289.	Isidorov, Kotowska, et al., 2005	30. m/0.25 mm/0.25 μm, He; T_start: 50. C; T_end: 300. C
Capillary	HP-5	1289.	Isidorov, Kotowska, et al., 2005	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	HP-5MS	1300.	Lee, Yanamandra, et al., 2002	30. m/0.25 mm/0.25 μm, He, 70. C @ 3. min, 4. K/min, 280. C @ 3. min

References

Go To: Top, Gas Chromatography, Notes

Tanaka, Hine, et al., 1980
Tanaka, K.; Hine, D.G.; West-Dull, A.; Lynn, T.B., Gas-chromatographic method of analysis for urinary organic acids. I. Retention indices of 155 metabolically important compounds, Clin. Chem., 1980, 26, 13, 1839-1846. [all data]

Tsai, Oliphant, et al., 1985
Tsai, M.Y.; Oliphant, C.; Josephson, M.W., Identification of Metabolites Diagnostic for Organic Acidurias by Simultaneous Dual-Column Capillary Gas Chromatography, J. Chromatogr., 1985, 341, 1-10, https://doi.org/10.1016/S0378-4347(00)84004-9 . [all data]

Tanaka and Hine, 1982
Tanaka, K.; Hine, D.G., Compilation of Gas Chromatographic Retention Indices of 163 Metabolically Important Organic Acids, and Their Use in Detection of Patients with Organic Acidurias, J. Chromatogr., 1982, 239, 301-322, https://doi.org/10.1016/S0021-9673(00)81990-1 . [all data]

Isidorov, Kotowska, et al., 2005
Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T., GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices, Anal. Sci., 2005, 21, 12, 1483-1489, https://doi.org/10.2116/analsci.21.1483 . [all data]

Lee, Yanamandra, et al., 2002
Lee, B.Y.; Yanamandra, K.; Thurmon, T.F., Quantitative estimation of organic analytes with a capillary column, Am. Clin. Lab., 2002, May, 30-34. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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