Heptanoic acid, TBDMS derivative
- Formula: C13H28O2Si
- Molecular weight: 244.4457
- IUPAC Standard InChI: InChI=1S/C13H28O2Si/c1-7-8-9-10-11-12(14)15-16(5,6)13(2,3)4/h7-11H2,1-6H3
- IUPAC Standard InChIKey: RHWPBALXGUQVAC-UHFFFAOYSA-N
- CAS Registry Number: 54251-63-7
- 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: Heptanoic acid, tert-butyldimethylsilanyl ester; Heptanoic acid, tert-butyldimethylsilyl ester; tert-Butyl(dimethyl)silyl heptanoate; Heptanoic acid, DMTBS; Heptanoic acid, TBDMS; Enanthic acid, DMTBS
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1383.1 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
| Capillary | Methyl Silicone | 1378. | Peng, Yang, et al., 1991 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Carbowax 20M | 1474. | Peng, Yang, et al., 1991 | Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1388. | Paik, Lee, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min; Tend: 290. C |
| Capillary | DB-5 | 1388. | Kim, Kim, et al., 1990 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1378. | Kim, Hahn, et al., 1989 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1389. | Kim, Zlatkis, et al., 1987 | 15. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min; Tend: 200. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [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]
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., 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]
Kim, Zlatkis, et al., 1987
Kim, K.; Zlatkis, A.; Horning, E.C.; Middleditch, B.S.,
Gas chromatography of volatile fatty acids as tert-butyldimethylsilyl esters,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 9, 522-523, https://doi.org/10.1002/jhrc.1240100910
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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