Benzoic Acid, TBDMS derivative

Formula: C₁₃H₂₀O₂Si
Molecular weight: 236.3822
IUPAC Standard InChI: InChI=1S/C13H20O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h6-10H,1-5H3
IUPAC Standard InChIKey: GPSVOHKZRIFVOF-UHFFFAOYSA-N
CAS Registry Number: 75732-41-1
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: Silanol, (1,1-dimethylethyl)dimethyl-, benzoate; Benzoic acid, tert-butyldimethylsilyl ester; Benzoic acid, DMTBS; Benzoic acid, TBDMS; tert-Butyldimethylsilyl benzoate
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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

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

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1508.	N/A	30. m/0.25 mm/0.25 μm, He; T_start: 60. C; T_end: 270. 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	Methyl Silicone	1458.	Peng, Yang, et al., 1991	Program: not specified

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1488.	Paik, Lee, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min; T_end: 290. C
Capillary	DB-5	1484.61	Kim, Kim, et al., 1993	30. m/0.25 mm/0.241 μm, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1486.	Kim, Kim, et al., 1990	30. m/0.25 mm/0.25 μm, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-1	1460.	Kim, Hahn, et al., 1989	30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 4. K/min; T_end: 280. C

References

Go To: Top, Gas Chromatography, Notes

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]

Paik, Lee, et al., 2005
Paik, M.-J.; Lee, H.-J.; Kim, K.-R., Simultaneous retention index analysis of urinary amino acids and carboxylic acids for graphic recognition of abnormal state, J. Chromatogr. B, 2005, 821, 1, 94-104, https://doi.org/10.1016/j.jchromb.2005.04.011 . [all data]

Kim, Kim, et al., 1993
Kim, K.-R.; Kim, J.-H.; Park, H.-K.; Oh, C.-H., Dual capillary column system for the qualitative gas chromatography: 2. Comparison between splitless and on-column injection modes, Bull. Korean Chem. Soc., 1993, 14, 2, 250-255. [all data]

Kim, Kim, et al., 1990
Kim, K.-R.; Kim, J.-H.; Park, H.-K., Trace analysis as TBDMS derivatives of organic acids in aqueous samples, J. Korean Chem. Soc., 1990, 34, 4, 352-359. [all data]

Kim, Hahn, et al., 1989
Kim, K.R.; Hahn, M.K.; Zlatkis, A.; Horning, E.C.; Middleditch, B.S., Simultaneous gas chromatography of volatile and nonvolatile carboxylic acids as tert.-butyldimethylsilyl derivatives, J. Chromatogr., 1989, 468, 289-301, https://doi.org/10.1016/S0021-9673(00)96323-4 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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