Dodecanedioic acid, 2TMS derivative

Formula: C₁₈H₃₈O₄Si₂
Molecular weight: 374.6629
IUPAC Standard InChI: InChI=1S/C18H38O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h7-16H2,1-6H3
IUPAC Standard InChIKey: RJYFZCUYOIINDS-UHFFFAOYSA-N
CAS Registry Number: 22396-19-6
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Dodecanedioic acid, bis(trimethylsilyl) ester; 1,12-Dodecandioic acid diTMS; Bis(trimethylsilyl) dodecanedioate; Dodecadioic acid, bis-TMS; Dodecandioic acid, bis(trimethylsilyl) ester; Dodecanedioic acid di-TMS; Dodecanedioic acid, di-TMS, #2; Dodecanedioic acid, di-TMS, #1
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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

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2089.	Kimura, Yamamoto, et al., 1999	30. m/0.25 mm/1. μm, He, 100. C @ 4. min, 4. K/min, 290. C @ 10. min
Capillary	OV-1	2089.	Lefevere, Verhaeghe, et al., 1989	10. m/0.22 mm/0.17 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C
Capillary	SE-52	2060.	Lefevere, Verhaeghe, et al., 1989	25. m/0.32 mm/0.52 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C
Capillary	SE-52	2102.	Lefevere, Verhaeghe, et al., 1989	25. m/0.32 mm/0.52 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	2083.8	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2102.	Isidorov, Kotowska, et al., 2005	30. m/0.25 mm/0.25 μm, He; T_start: 50. C; T_end: 300. C
Capillary	SE-52	2102.	Verhaeghe, van Bocxlaer, et al., 1992	25. m/0.32 mm/0.12 μm, He, 5. K/min; T_start: 70. C; T_end: 270. C

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Kimura, Yamamoto, et al., 1999
Kimura, M.; Yamamoto, T.; Yamaguchi, S., Automated metabolic profiling and interpretation of GC/MS data for organic acidemia screening: a personal computer-based system, Tohoku J. Exp. Med., 1999, 188, 4, 317-334, https://doi.org/10.1620/tjem.188.317 . [all data]

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]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [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]

Verhaeghe, van Bocxlaer, et al., 1992
Verhaeghe, B.J.; van Bocxlaer, J.F.; de Leenheer, A.P., Gas chromatographic/mass spectrometric identification of 3-hydroxydicarboxylic acids in urine, Biol. Mass Spectrom., 1992, 21, 1, 27-32, https://doi.org/10.1002/bms.1200210107 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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