2H-1-Benzopyran-2-one, 7-methyl-
- Formula: C10H8O2
- Molecular weight: 160.1693
- IUPAC Standard InChI: InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
- IUPAC Standard InChIKey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
- CAS Registry Number: 2445-83-2
- 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: 7-Methylcoumarin; Coumarin, 7-methyl-; 7-Methyl-2H-1-benzopyran-2-one
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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. | 1562. | 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. | 1586. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.22 μm, H2 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1553. | Vinogradov, 2004 | Program: not specified |
| Capillary | OV-101 | 1553. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2620. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 2620. | 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]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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