(1R,5S,6R)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3
- IUPAC Standard InChIKey: UASZOTVHPVEMQR-UHFFFAOYSA-N
- CAS Registry Number: 67999-48-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-acetate, (1R,5S,6R)-; Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1α,5α,6α)-; cis-Chrysanthenol acetate; cis-Chrysanthenyl acetate; Chrysanthenyl acetate; (Z)-Chrysanthenyl acetate; Chrysanthenyl acetate (cis); cis-Crysanthenyl acetate
- Information on this page:
- Other data available:
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Kovats' 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 |
|---|---|---|
| Active phase | SE-30 | BP-1 |
| Column length (m) | 25. | 30. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 70. | 60. |
| Tend (C) | 220. | 220. |
| Heat rate (K/min) | 4. | 5. |
| Initial hold (min) | ||
| Final hold (min) | 13. | |
| I | 1251. | 1245. |
| Reference | Palá-Paúl, Velasco-Negueruela, et al., 2002 | Shawl, Srivastava, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Palá-Paúl, Velasco-Negueruela, et al., 2002
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Essential oil composition of the aerial parts of Cachrys sicula L.,
Flavour Fragr. J., 2002, 17, 1, 64-68, https://doi.org/10.1002/ffj.1042
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Notes
Go To: Top, Kovats' 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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