Protocatechoic acid, 3TMS derivative

Formula: C₁₆H₃₀O₄Si₃
Molecular weight: 370.6635
IUPAC Standard InChI: InChI=1S/C16H30O4Si3/c1-21(2,3)18-14-11-10-13(16(17)20-23(7,8)9)12-15(14)19-22(4,5)6/h10-12H,1-9H3
IUPAC Standard InChIKey: DVAGRNBRUDZPDF-UHFFFAOYSA-N
CAS Registry Number: 2347-40-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Benzoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester; Trimethylsilyl 3,4-bis(trimethylsilyloxy)benzoate; Protocatechuic acid (tms); Benzoic acid, 3,4-dihydroxy, TMS; Protocatechuic acid, di-TMS
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Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Packed
Active phase	DB-5	DB-5	DB-5	DB-5	OV-1
Column length (m)	30.	30.	30.	30.	1.8
Carrier gas	He	He	He	He	N2
Substrate					100-120 mesh
Column diameter (mm)	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	50.	50.	70.
T_end (C)	240.	240.	240.	240.	290.
Heat rate (K/min)	3.	3.	7.	7.	28.
Initial hold (min)					0.5
Final hold (min)
I	1836.	1844.	1835.	1844.	1826.
Reference	Jaroszynska, 2003	Jaroszynska, 2003	Jaroszynska, 2003	Jaroszynska, 2003	Tanaka, Hine, et al., 1980
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)
T_start (C)	80.	100.
T_end (C)	240.	325.
Heat rate (K/min)	4.	10.
Initial hold (min)
Final hold (min)
I	1826.	1828.
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

Jaroszynska, 2003
Jaroszynska, J., Isolation of free phenolic compounds from arboreal leaves by use of the Florisil/C18 system, Anal. Bioanal. Chem., 2003, 377, 4, 702-708, https://doi.org/10.1007/s00216-003-2155-z . [all data]

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]

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:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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