2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate
- Formula: C12H20O3
- Molecular weight: 212.2854
- IUPAC Standard InChI: InChI=1S/C12H20O3/c1-8(13)14-10-7-9-5-6-12(10,4)15-11(9,2)3/h9-10H,5-7H2,1-4H3
- IUPAC Standard InChIKey: XRKZFZWIYZDOQO-UHFFFAOYSA-N
- CAS Registry Number: 57709-95-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: exo-2-Hydroxycineole acetate; (1R,4S,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-yl acetate; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl acetate; hydroxycineyl acetate
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | HP-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 100. | 70. |
| Tend (C) | 220. | 290. |
| Heat rate (K/min) | 2. | 5. |
| Initial hold (min) | ||
| Final hold (min) | 10. | |
| I | 1358. | 1341. |
| Reference | Pripdeevech, Chumpolsri, et al., 2010 | Radulovic, Dordevic, et al., 2010 |
| Comment | 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.
Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [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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