(3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: DYLPEFGBWGEFBB-UHFFFAOYSA-N
- CAS Registry Number: 79120-98-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aR,7R,8aS)-; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3α,3aα,7α,8aα)]-; 1,7-Di-epi-β-cedrene; β-Funebrene
- 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 | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 5 CB | DB-1 | HP-5MS | 5 % Phenyl methyl siloxane | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | Nitrogen | He | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 50. | 60. | 50. |
Tend (C) | 200. | 265. | 280. | 280. | 250. |
Heat rate (K/min) | 5. | 2.5 | 5. | 3. | 3. |
Initial hold (min) | 1. | 4. | 3. | ||
Final hold (min) | 20. | 10. | 30. | ||
I | 1434. | 1392. | 1416. | 1388. | 1423. |
Reference | Hnawia, Menut, et al., 2009 | Iranshahi, Amin, et al., 2006 | Kim, El-Aty, et al., 2006 | Marongiu, Piras, et al., 2006 | Cégiéla-Carlioz, Bessière, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5 | DB-5MS | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 60. | 60. |
Tend (C) | 30. | 280. | 280. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 3. |
Initial hold (min) | 3. | 30. | ||
Final hold (min) | 15. | |||
I | 1416. | 1392. | 1415. | 1414. |
Reference | Ferretti, Maggi, et al., 2005 | Marongiu, Piras, et al., 2005 | Petrakis, Roussis, et al., 2005 | Schwob, Bessière, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | 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.
Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P.,
Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
Biochem. Systematics Ecol., 2009, 36, 11, 859-866, https://doi.org/10.1016/j.bse.2008.08.007
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Kim, El-Aty, et al., 2006
Kim, M.R.; El-Aty, A.M.A.; Choi, J.-H.; Lee, K.B.; Shim, J.H.,
Identification of volatile components in Angelica species using supercritical-CO2 fluid extraction and solid phase microextraction coupled to gas chromatography-mass spectrometry,
Biomedical Chromatography, 2006, 20, 11, 1267-1273, https://doi.org/10.1002/bmc.696
. [all data]
Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A.,
Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction,
Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684
. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B.,
Essential oil composition of Hypericum richeri Vill. from Italy,
Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412
. [all data]
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [all data]
Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C.,
The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa,
Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008
. [all data]
Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J.,
Composition of the essential oils of Hypericum perforatum L. from southeastern France,
C.R. Acad. Sci. Ser. 3:, 2002, 325, 781-785. [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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