(1R,3E,7E,11R)-1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChIKey: QTGAEXCCAPTGLB-MQTWWMRFSA-N
- CAS Registry Number: 19888-34-7
- 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. - Stereoisomers:
- Other names: 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E,7E,11R)-; 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, [1R-(1R*,3E,7E,11R*)]-; 1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-, (1R,3E,7E,11R); 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (E,E)-(1R,11R)-(-)-; Humulene-1,2-epoxide; Humulene epoxide 2; Humulene epoxide II; Humulene oxide II; α-Humulene epoxide II; (-)-Humulene epoxide II; Humulene 6,7-epoxide; Humulene II epoxide; 1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, 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 | BP-20 | BP-20 | BP-20 | CP-Wax 52CB | Carbowax 20M |
Column length (m) | 50. | 50. | 50. | 25. | 25. |
Carrier gas | He | H2 | |||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.3 |
Tstart (C) | 60. | 60. | 60. | 40. | 50. |
Tend (C) | 220. | 220. | 220. | 220. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 3. | 3. |
Initial hold (min) | 5. | 1. | |||
Final hold (min) | 20. | 20. | 20. | 20. | |
I | 2044. | 2038. | 2041. | 2048. | 2025. |
Reference | Blanc, Bradesi, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Gonny, Bradesi, et al., 2004 | Chagonda, Makanda, et al., 2000 | Bicchi, Rubiolo, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 230. | 230. | 230. | 230. |
Heat rate (K/min) | |||||
Initial hold (min) | |||||
Final hold (min) | |||||
I | 2024. | 2038. | 2040. | 2042. | 2068. |
Reference | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Blanc, Bradesi, et al., 2006
Blanc, M.-C.; Bradesi, P.; Goncalves, M.J.; Salgueiro, L.; Casanova, J.,
Essential oil of Dittrichia viscosa ssp. viscosa: analysis by 13C-NMR and antimicrobial activity,
Flavour Fragr. J., 2006, 21, 2, 324-332, https://doi.org/10.1002/ffj.1605
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C.,
The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe,
Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W
. [all data]
Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R.,
Constituents of Artemisia roxburghiana Besser essential oil,
Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z
. [all data]
Peppard and Ramus, 1988
Peppard, T.L.; Ramus, S.A.,
Use of Kovats' gas chromatographic retention indices in beer flavor studies,
Am. Soc. Brew. Chem. Proc., 1988, 46, 2, 26-30. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.