Heptanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Formula: C17H30O2
- Molecular weight: 266.4189
- IUPAC Standard InChI: InChI=1S/C17H30O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3/b16-13+
- IUPAC Standard InChIKey: NSMHPPLPBQPIQJ-DTQAZKPQSA-N
- CAS Registry Number: 73019-15-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Geranyl heptanoate; (E)-3,7-Dimethylocta-2,6-dien-1-yl heptanoate; Geranyl-n-heptanoate; Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; [(2E)-3,7-dimethylocta-2,6-dienyl] heptanoate
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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 | BP-1 | HP-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 220. | 240. |
| Heat rate (K/min) | 5. | 3. |
| Initial hold (min) | ||
| Final hold (min) | 13. | |
| I | 1824. | 1857. |
| Reference | Raina, Kumar, et al., 2004 | Shellie and Marriott, 2003 |
| 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.
Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P.,
Essential oil composition of 'kewda' (Pandanus odoratissimus) from India,
Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331
. [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]
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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