Ethanedioic acid, dimethyl ester

Formula: C₄H₆O₄
Molecular weight: 118.0880
IUPAC Standard InChI: InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
IUPAC Standard InChIKey: LOMVENUNSWAXEN-UHFFFAOYSA-N
CAS Registry Number: 553-90-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Oxalic acid, dimethyl ester; Dimethyl oxalate; Methyl oxalate; CH3OCOCOOCH3; Dimethyl ester of oxalic acid; Ethanedioc acid dimethyl ester
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-54	140.	824.	Grigor'eva, Vasil'ev, et al., 1993	15. m/0.28 mm/2.4 μm, Ar
Capillary	SE-54	160.	819.	Grigor'eva, Vasil'ev, et al., 1993	15. m/0.28 mm/2.4 μm, Ar
Capillary	SE-54	180.	817.	Grigor'eva, Vasil'ev, et al., 1993	15. m/0.28 mm/2.4 μm, Ar

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	PEG-40M	120.	1382.	Grigor'eva, Vasil'ev, et al., 1993	40. m/0.25 mm/0.10 μm, Ar
Capillary	PEG-40M	120.	1389.	Grigor'eva, Vasil'ev, et al., 1993	40. m/0.25 mm/0.10 μm, Ar

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	826.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Packed	SE-30	837.	van den Dool and Kratz, 1963	Celite; T_start: 75. C; T_end: 228. C

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

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Column type	Active phase	I	Reference	Comment
Packed	SE-30	800.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	ZB-Wax	1409.	Wu, Zorn, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Packed	Carbowax 20M	1382.	van den Dool and Kratz, 1963	Celite 545, 4.6 K/min; T_start: 75. C; T_end: 228. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	800.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	HP-5	826.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	DB-5	800.	Wu, Krings, et al., 2005	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	ZB-Wax	1395.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	ZB-Wax	1409.	N/A	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
Capillary	ZB-Wax	1395.	Wu, Krings, et al., 2005	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min

References

Go To: Top, Gas Chromatography, Notes

Grigor'eva, Vasil'ev, et al., 1993
Grigor'eva, D.N.; Vasil'ev, A.V.; Golovnya, R.V., Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditions, J. Anal. Chem. USSR (Engl. Transl.), 1993, 48, 7, 817-822. [all data]

Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica, Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G., Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr., Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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