1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate
- Formula: C13H22O2
- Molecular weight: 210.3126
- IUPAC Standard InChI: InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
- IUPAC Standard InChIKey: WAQIIHCCEMGYKP-UHFFFAOYSA-N
- CAS Registry Number: 144-39-8
- 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: 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate; Linalyl propionate; Linalyl n-propionate; Linalyl propanoate
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Van Den Dool and Kratz 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 | SPB-1 | BP-1 | Mega 5MS | Mega 5MS |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 40. | 40. |
| Tend (C) | 250. | 220. | 240. | 240. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. |
| Initial hold (min) | 3. | 2. | 2. | |
| Final hold (min) | 15. | 13. | ||
| I | 1346. | 1319. | 1333. | 1333. |
| Reference | Blagojevic, Radulovic, et al., 2006 | Raina, Kumar, et al., 2004 | Verzera, Trozzi, et al., 2003 | Verzera, la Rosa, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | 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.
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
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]
Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872
. [all data]
Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A.,
Essential oil composition of different cultivars of bergamot grown in Sicily,
Ital. J. Food Sci., 2000, 12, 4, 493-501. [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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