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: 72257-53-5
- 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: 2-Acetoxy-1,8-cineole; 2-Hydroxycineole, acetate; exo-2-Hydroxycineole acetate; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol, acetate; exo-2-hydroxycineol acetate; 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl acetate
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Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1354. | Bouzouita, Kachouri, et al., 2003 | 30. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min; Tend: 250. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1344. | Radulescu, Chiliment, et al., 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (3min) => 5C/min => 160C (2min) => 10C/min => 280C (10min) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1345. | Su, Ho, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1367.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1352. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1342. | Setzer, Noletto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | SE-54 | 1339. | Kilic, Hafizoglu, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min; Tend: 260. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bouzouita, Kachouri, et al., 2003
Bouzouita, N.; Kachouri, F.; Hamdi, M.; Chaabouni, M.M.,
Antimicrobial activity of essential oils from Tunisian aromatic plants,
Flavour Fragr. J., 2003, 18, 5, 380-383, https://doi.org/10.1002/ffj.1200
. [all data]
Radulescu, Chiliment, et al., 2004
Radulescu, V.; Chiliment, S.; Oprea, E.,
Capillary gas chromatography-mass spectrometry of volatile and semi-volatile compounds of Salvia officinalis,
J. Chromatogr. A, 2004, 1027, 1-2, 121-126, https://doi.org/10.1016/j.chroma.2003.11.046
. [all data]
Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [all data]
Setzer, Noletto, et al., 2005
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A.,
Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica,
Molecular Diversity, 2005, 9, 1-3, 3-13, https://doi.org/10.1007/s11030-005-1298-6
. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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