Kessanyl acetate
- Formula: C17H28O3
- Molecular weight: 280.4024
- IUPAC Standard InChI: InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3
- IUPAC Standard InChIKey: CGBOQYJQRLRGIE-UHFFFAOYSA-N
- CAS Registry Number: 17806-59-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (1R,3aR,4S,6S,7S,8aR)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulen-6-yl acetate; 1,4-Ethano-1H-cyclopent[c]oxepin-9-ol, octahydro-1,3,3,6-tetramethyl-, 9-acetate, (1S,4S,5aR,6R,8aR,9S)-; 1,4-Ethano-1H-cyclopent[c]oxepin-9-ol, octahydro-1,3,3,6-tetramethyl-, acetate, (1S,4S,5aR,6R,8aR,9S)-; 1,4-Ethano-1H-cyclopent[c]oxepin-9-ol, octahydro-1,3,3,6-tetramethyl-, acetate, [1S-(1α,4α,5aβ,6α,8aα,9R*)]-; 4βH,5β,10βH-Guaian-8α-ol, 10,11-epoxy-, acetate; Kessanol, acetate; α-Kessyl acetate
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- Other data available:
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Normal alkane 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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 30. | 25. | 25. | 25. |
| Carrier gas | He | N2 | N2 | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 50. | 60. |
| Tend (C) | 260. | 290. | 290. | 300. |
| Heat rate (K/min) | 4. | 4. | 4. | 6. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1743.9 | 1772. | 1772. | 1772. |
| Reference | Zizovic, Stamenic, et al., 2007 | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997, 2 |
| 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.
Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D.,
Supercritical carbon dioxide extraction of sesquiterpenes from valerian root,
J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007
. [all data]
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
. [all data]
Bos, Woerdenbag, et al., 1997, 2
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Scheffer, J.J.C.,
Composition of the essential oils from underground parts of Valeriana officinalis L. s.l. and several closely related taxa,
Flavour Fragr. J., 1997, 12, 5, 359-370, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<359::AID-FFJ660>3.0.CO;2-G
. [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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