Benzeneacetic acid, α-[(trimethylsilyl)oxy]-, trimethylsilyl ester
- Formula: C14H24O3Si2
- Molecular weight: 296.5096
- IUPAC Standard InChIKey: QGQNCTUAZAEYNK-UHFFFAOYSA-N
- CAS Registry Number: 2078-19-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Acetic acid, phenyl(trimethylsiloxy)-, trimethylsilyl ester; Mandelic acid (ditms); Trimethylsilyl-α-(trimethylsiloxy)phenylacetae; andelic acid, di(trimethylsilyl) deriv.; Trimethylsilyl phenyl[(trimethylsilyl)oxy]acetate; Mandelic acid, bis-TMS; Mandelic acid, TMS; Mandelic acid, 2TMS derivative; Mandelic acid, di(trimethylsilyl) deriv.; Mandelic acid, trimethylsilyl ether, trimethylsilyl ester; DL-Mandelic acid, trimethylsilyl ether, trimethylsilyl ester
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | SE-52 | CP Sil 5 CB | SE-52 | Ultra-2 |
Column length (m) | 10. | 25. | 25. | 25. | |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.20 | 0.31 | |
Phase thickness (μm) | 0.17 | 0.52 | 0.40 | 0.52 | |
Tstart (C) | 70. | 70. | 60. | 50. | 50. |
Tend (C) | 270. | 270. | 280. | 270. | 300. |
Heat rate (K/min) | 5. | 5. | 6. | 5. | 5. |
Initial hold (min) | 0.5 | ||||
Final hold (min) | 5. | ||||
I | 1473. | 1491. | 1472. | 1491. | 1491. |
Reference | Lefevere, Verhaeghe, et al., 1989 | Lefevere, Verhaeghe, et al., 1989 | Wurth, Kumps, et al., 1989 | Lefevere, Verhaeghe, et al., 1988 | Tuchman, Bowers, et al., 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed |
---|---|---|
Active phase | OV-1 | OV-1 |
Column length (m) | 2. | 2. |
Carrier gas | N2 | He |
Substrate | Supelcoport | Chromosorb W HP (80-100 mesh) |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Tstart (C) | 80. | 100. |
Tend (C) | 240. | 325. |
Heat rate (K/min) | 4. | 10. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1470. | 1477. |
Reference | Mattsson and Petersson, 1977 | Butts, 1972 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lefevere, Verhaeghe, et al., 1989
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.H.; Van Bocxlaer, J.F.; De Leenheer, A.P.; De Sagher, R.M.,
Metabolic Profiling of Urinary Organic Acids by Single and Multicolumn Capillary Gas Chromatography,
J. Chromatogr. Sci., 1989, 27, 1, 23-29, https://doi.org/10.1093/chromsci/27.1.23
. [all data]
Wurth, Kumps, et al., 1989
Wurth, C.; Kumps, A.; Mardens, Y.,
Urinary organic acids: Retention indices on two capillary gas chromatography columns,
J. Chromatogr., 1989, 491, 186-192, https://doi.org/10.1016/S0378-4347(00)82831-5
. [all data]
Lefevere, Verhaeghe, et al., 1988
Lefevere, M.F.; Verhaeghe, B.J.; Declerck, D.M.; de Leenheer, A.P.,
Automated profiling of urinary organic acids by dual-column gas chromatography and gas chromatography/mass spectrometry,
Biomed. Environ. Mass Spectrom., 1988, 15, 6, 311-322, https://doi.org/10.1002/bms.1200150603
. [all data]
Tuchman, Bowers, et al., 1984
Tuchman, M.; Bowers, L.D.; Fregien, K.D.; Crippin, P.J.; Krivit, W.,
Capillary Gas Chromatographic Separation of Urinary Organic Acids. Retention Indices of 101 Urinary Acids on a 5% Phenylmethyl Silicone Capillary Column,
J. Chromatogr. Sci., 1984, 22, 5, 198-202, https://doi.org/10.1093/chromsci/22.5.198
. [all data]
Mattsson and Petersson, 1977
Mattsson, M.; Petersson, G.,
Reference GLC Data for the Analysis of Phenolic Compounds as Trimethylsilyl Derivatives,
J. Chromatogr. Sci., 1977, 15, 12, 546-554, https://doi.org/10.1093/chromsci/15.12.546
. [all data]
Butts, 1972
Butts, W.C.,
Two-Column Gas Chromatography of Trimethylsilyl Derivatives of Biochemically Significant Compounds,
Anal. Biochemistry, 1972, 46, 1, 187-199, https://doi.org/10.1016/0003-2697(72)90411-3
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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