Methyl benzilate

Formula: C₁₅H₁₄O₃
Molecular weight: 242.2699
IUPAC Standard InChI: InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
IUPAC Standard InChIKey: LJFIHTFNTGQZJL-UHFFFAOYSA-N
CAS Registry Number: 76-89-1
Chemical structure:
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Other names: Benzeneacetic acid, α-hydroxy-α-phenyl-, methyl ester; Benzilic acid, methyl ester; Methyl diphenylglycolate; Methyl α-hydroxydiphenylacetate; Methyl α-phenylmandelate; Methyl 2-hydroxy-2,2-diphenylacetate; Methyl hydroxydiphenylacetate; Hydroxy-diphenyl-acetic acid methyl ester; α-Hydroxydiphenylacetic acid, methyl ester; NSC 57672
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	180.	1792.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm
Capillary	Methyl Silicone	200.	1805.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm
Capillary	Methyl Silicone	80.	1792.	Huber, Kenndler, et al., 1993	H2; Column length: 5. m; Phase thickness: 2.65 μm

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	PEG-20M	190.	2852.	Huber, Kenndler, et al., 1993	Column length: 10. m; Phase thickness: 1.33 μm
Capillary	PEG-20M	210.	2833.	Huber, Kenndler, et al., 1993	Column length: 10. m; Phase thickness: 1.33 μm

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

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	1853.	Kostiainen, 2000	25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min
Capillary	HP-5	1825.	Soják, Perjéssy, et al., 1995	8. m/0.320 mm/0.17 μm, He, 10. K/min; T_start: 110. C; T_end: 300. C

References

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Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J., Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data, Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031 . [all data]

Kostiainen, 2000
Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]

Soják, Perjéssy, et al., 1995
Soják, L.; Perjéssy, A.; Kubinec, R.; Giumanini, A.G.; Strazzolini, P., Identification of the isomers from mono- and dinitration of α-hydroxydiphenylacetic acid by capillary gas chromatography with Fourier transform infrared and mass spectrometric detection, J. Chromatogr. A, 1995, 695, 1, 57-64, https://doi.org/10.1016/0021-9673(94)01156-9 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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