2H-1-Benzopyran-2-one, 6-methyl-
- Formula: C10H8O2
- Molecular weight: 160.1693
- IUPAC Standard InChI: InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
- IUPAC Standard InChIKey: FXFYOPQLGGEACP-UHFFFAOYSA-N
- CAS Registry Number: 92-48-8
- 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: Coumarin, 6-methyl-; Toncarine; 6-Methylbenzopyrone; 6-Methylcoumarin; 6-Methylcoumarinic anhydride; 6-MC; 6-Methylcumarin; NCI-C55812; 6-Methyl-1,2-benzopyrone; 6-Methyl-2H-1-benzopyran-2-one; NSC 5870; 6-Methyl-2(2H)-chromenone
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | LM-1 | 170. | 1545. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2 |
| Capillary | LM-1 | 190. | 1564. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2 |
| Capillary | LM-1 | 210. | 1574. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2 |
| Capillary | CBP-5 | 170. | 1588. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.22 μm, H2 |
| Packed | Apiezon L | 170. | 1618. | Arruda, Heinzen, et al., 1993 | N2, Chromosorb W; Column length: 1.8 m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1545. | Vinogradov, 2004 | Program: not specified |
| Capillary | OV-101 | 1545. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SOLGel-Wax | 2551. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
| Capillary | SOLGel-Wax | 2560. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: not specified |
| Capillary | Carbowax 20M | 2630. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 2630. | Shibamoto, 1987 | Program: not specified |
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.
Soares, Monache, et al., 1999
Soares, M.F.; Monache, F.D.; Heinzen, V.E.F.; Yunes, R.A.,
Prediction of gas chromatographic retention indices of coumarins,
J. Braz. Chem. Soc., 1999, 10, 3, 189-196, https://doi.org/10.1590/S0103-50531999000300006
. [all data]
Arruda, Heinzen, et al., 1993
Arruda, A.C.; Heinzen, V.E.F.; Yunes, R.A.,
Relationship between Kovats retention indices and molecular connectivity indices of tetralones, coumarins and structurally related compounds,
J. Chromatogr., 1993, 630, 1-2, 251-256, https://doi.org/10.1016/0021-9673(93)80461-G
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Shu and Shen, 2008
Shu, N.; Shen, H.,
Aroma-impact compounds in Lysimachia foenum-graecum extracts,
Flavour Fragr. J., 2008, 24, 1, 1-6, https://doi.org/10.1002/ffj.1908
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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