trans-Geranic acid methyl ester
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+
- IUPAC Standard InChIKey: ACOBBFVLNKYODD-CSKARUKUSA-N
- CAS Registry Number: 1189-09-9
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-; E-Methylgeranate; Geranic acid methyl ester; Methyl geranoate; Methyl trans-geranate; Methyl geranate; Methyl (2E)-3,7-dimethyl-2,6-octadienoate; (E)-Geranic acid methyl ester; Methyl 2,6-octadienoate, 3,7-dimethyl, (E)-; Methyl (E)-2,6-octadienoate, 3,7-dimethyl; Methyl E-geranate; Methyl (E)-geraniate; 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-; (E)-Methyl 3,7-dimethylocta-2,6-dienoate; methyl (E)-3,7-dimethylocta-2,6-dienoate
- Information on this page:
- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 MS | BP-1 | DB-5 | DB-1 |
| Column length (m) | 25. | 50. | 30. | 60. |
| Carrier gas | Helium | Helium | Nitrogen | |
| Substrate | ||||
| Column diameter (mm) | 0.30 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 60. | 40. | 50. |
| Tend (C) | 240. | 220. | 250. | 250. |
| Heat rate (K/min) | 3. | 2. | 3. | 4. |
| Initial hold (min) | 1. | 0.1 | ||
| Final hold (min) | 20. | 10. | 5. | |
| I | 1321. | 1305. | 1301. | 1301. |
| Reference | Chalchat, Figueredo, et al., 2010 | Ottavioli, Bighelli, et al., 2009 | Rahmi-Nasrabadi, Gholivand, et al., 2009 | Binder and Flath, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Chalchat, Figueredo, et al., 2010
Chalchat, J.-C.; Figueredo, G.; Ozcan, M.M.; Unver, A.,
Effect of hydrodistillation and microwave distillation extraction methods on chemical composition of essential oil of pickling herb and myrtle plants,
South Western J. of Agriculture, 2010, 1, 2, 133-141. [all data]
Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y.,
GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350
. [all data]
Rahmi-Nasrabadi, Gholivand, et al., 2009
Rahmi-Nasrabadi, M.; Gholivand, M.B.; Batooli, H.,
Chemical composition of the essential oil from leaves and flowering aerial parts of Haplophyllum robustum Bge. (Rutaceae),
Digest J. Nanomaterials Biostructures, 2009, 4, 4, 819-822. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Notes
Go To: Top, Normal alkane 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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