Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3
- IUPAC Standard InChIKey: OZBFUQLOVFXDNK-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: trans-Verbenyl acetate; verbenyl acetate; verbenol acetate; verbenyl, trans-acetate; Verbenyl acetate (trans)
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- Information on this page:
- Other data available:
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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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | HP-5MS | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 280. | 280. | 250. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 10. | ||||
| I | 1287. | 1293. | 1298. | 1293. | 1290. |
| Reference | Basta, Pavlovic, et al., 2007 | Setzer, Noletto, et al., 2006 | Ghasemi Y., Faridi P., et al., 2005 | Khayyat and Karimi, 2005 | Couladis, Özcan, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | SPB-5 |
| Column length (m) | 60. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 250. | 240. |
| Heat rate (K/min) | 5. | 3. |
| Initial hold (min) | 15. | |
| Final hold (min) | 20. | |
| I | 1282. | 1293. |
| Reference | Stashenko, Jaramillo, et al., 2003 | Doneanu and Anitescu, 1998 |
| 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.
Basta, Pavlovic, et al., 2007
Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O.,
Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
Flavour Fragr. J., 2007, 22, 3, 197-200, https://doi.org/10.1002/ffj.1781
. [all data]
Setzer, Noletto, et al., 2006
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.,
Chemical composition of the floral essential oil of Randia matudae from Monteverde, Costa Rica,
Flavour Fragr. J., 2006, 21, 2, 244-246, https://doi.org/10.1002/ffj.1567
. [all data]
Ghasemi Y., Faridi P., et al., 2005
Ghasemi Y.; Faridi P.; Mehregan I.; Mohagheghzadeh A.,
Ferula gummosa fruits: An aromatic antimicrobial agent,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 311-314, https://doi.org/10.1007/s10600-005-0138-3
. [all data]
Khayyat and Karimi, 2005
Khayyat, M.H.; Karimi, H.,
Composition of the volatile oils of three different species of Artemisia,
Iranian Journal of Pharmaceutical Sciences, 2005, 1, 1, 29-32. [all data]
Couladis, Özcan, et al., 2003
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Comparative essential oil composition of various parts of the turpentine tree (Pistacia terebinthus L) growing wild in Turkey,
J. Sci. Food Agric., 2003, 83, 2, 136-138, https://doi.org/10.1002/jsfa.1295
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]
Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [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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