2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
- IUPAC Standard InChIKey: XDEGQMQKHFPBEW-YVMONPNESA-N
- CAS Registry Number: 7779-81-9
- 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. - Stereoisomers:
- Other names: Crotonic acid, 2-methyl-, isobutyl ester, (Z)-; Isobutyl angelate; Isobutyl cis-2-methyl-2-butenoate; 2-Methylpropyl angelate; isobutyl 2-methylisocrotonate
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | CP Sil 5 CB |
| Column length (m) | 60. | 25. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 40. | 70. |
| Tend (C) | 280. | 295. |
| Heat rate (K/min) | 4. | 4. |
| Initial hold (min) | 5. | |
| Final hold (min) | ||
| I | 1035. | 1060. |
| Reference | Omidbaigi, Sefidkon, et al., 2004 | Montanarella, Bos, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Omidbaigi, Sefidkon, et al., 2004
Omidbaigi, R.; Sefidkon, F.; Kazemi, F.,
Influence of drying methods on the essential oil content and composition of Roman chamomile,
Flavour Fragr. J., 2004, 19, 3, 196-198, https://doi.org/10.1002/ffj.1340
. [all data]
Montanarella, Bos, et al., 1986
Montanarella, L.; Bos, R.; Fischer, F.C.,
The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves,
Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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