Geranyl formate
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
- IUPAC Standard InChIKey: FQMZVFJYMPNUCT-YRNVUSSQSA-N
- CAS Registry Number: 105-86-2
- 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. - Stereoisomers:
- Other names: 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (E)-; Geraniol formate; trans-3,7-Dimethyl-2,6-octadien-1-ol formate; trans-3,7-Dimethyl-2,6-octadien-1-yl formate; Formic acid, geraniol ester; Formic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; (2E)-3,7-Dimethyl-2,6-octadienyl formate; (E)-3,7-Dimethyl-2,6-octadien-1-ol formate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2E)-; NSC 21736; 3,7-Dimethyl-trans-2,6-octadienyl formate
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- Other data available:
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Kovats' RI, non-polar column, custom temperature program
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 | BP-1 | BP-1 | HP-5 | BP-1 |
| Column length (m) | 25. | 25. | 30. | 30. |
| Carrier gas | N2 | N2 | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | not specified | 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) |
| I | 1282. | 1285. | 1300. | 1282. |
| Reference | Khan, Srivastava, et al., 2003 | Raina, Srivastava, et al., 2003 | Shellie and Marriott, 2003 | Khan, Srivastava, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K.,
Chemical composition of fruit and stem essential oils of Lantana camara from northern India,
Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S.,
Essential oil composition of Cymbopogon martinii from different places in India,
Flavour Fragr. J., 2003, 18, 4, 312-315, https://doi.org/10.1002/ffj.1222
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Khan, Srivastava, et al., 2002
Khan, M.; Srivastava, S.K.; Syamasundar, K.V.; Singh, M.; Naqvi, A.A.,
Chemical composition of leaf and flower essential oil of Lantana camara from India,
Flavour Fragr. J., 2002, 17, 1, 75-77, https://doi.org/10.1002/ffj.1047
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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