1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3α,3aβ,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: DYLPEFGBWGEFBB-KYEXWDHISA-N
- CAS Registry Number: 546-28-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cedr-8(15)-ene; β-Cedrene; (+)-β-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; [3R-(3α,3aβ,7β,8aα)]-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
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Normal alkane RI, non-polar column, custom temperature program
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-5 | HP-5 | HP-5 | HP-5 MS | HP-5 |
Column length (m) | 30. | 30. | 25. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.17 | ||
Program | not specified | not specified | not specified | 50 0C (1.5 min) 10 0C/min -> 180 0C (2 min) 6 0C/min -> 280 0C (10 min) | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
I | 1424. | 1429. | 1421. | 1428. | 1422. |
Reference | Citron, Riclea, et al., 2011 | Citron, Riclea, et al., 2011 | Kahriman, Tosun, et al., 2011 | Wang, Xu, et al., 2011 | Custer, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | DB-1 | CP Sil 8 CB | HP-5MS |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C | 40C(1min) => 8C/min => 160C => 12C/min => 300C(5min) |
I | 1420. | 1418. | 1400. | 1423. | 1426. |
Reference | Custer, 2009 | Riahi, Pourbasheer, et al., 2009 | Nogueira, Marcelo-Curto, et al., 2008 | Meekijjaroenroj, Bessière, et al., 2007 | Li, Deng, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VF-5MS | OV-1 | CP Sil 8 CB | SE-30 | Methyl Silicone |
Column length (m) | 30. | 30. | 50. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(1min) => 15C/min => 100C => 4C/min => 250C (1min) | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | not specified | not specified |
I | 1426. | 1405. | 1418. | 1425. | 1425. |
Reference | Xie, Sun, et al., 2006 | Hafez and Abdel-Salam, 2004 | Judpentienë and Mockutë, 2004 | Vinogradov, 2004 | Zenkevich, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1446. |
Reference | Shibamoto, 1987 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Citron, Riclea, et al., 2011
Citron, C.A.; Riclea, R.; Brock, N.L.; Dickschat, J.S.,
Biosynthesis of acorane sesquiterpenes by Trichoderma. Electronic supplemental materials (ESI),
Royal Soc. Chem., 2011, 1-10. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Wang, Xu, et al., 2011
Wang, J.; Xu, L.; Yang, L.; Liu, Z.; Zhou, L.,
Composition, antibacterial and antioxidant activities of essential oils from Ligusticum sinense and L. jaholense (Unvelliferae) from China,
Rec. Nat. Prod., 2011, 5, 4, 314-318. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
. [all data]
Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C.,
Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum,
Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004
. [all data]
Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C.,
Chemistry of floral scents in four Licuala species (Arecaceae),
Flavour Fragr. J., 2007, 22, 4, 300-310, https://doi.org/10.1002/ffj.1797
. [all data]
Li, Deng, et al., 2006
Li, N.; Deng, C.; Li, Y.; Ye, H.; Zhang, X.,
Gas chromatography-mass spectrometry following microwave distillation and headspace solid-phase microextraction for fast analysis of essential oil in dry traditional Chinese medicine,
J. Chromatogr. A, 2006, 1133, 1-2, 29-34, https://doi.org/10.1016/j.chroma.2006.08.046
. [all data]
Xie, Sun, et al., 2006
Xie, J.; Sun, B.; Yu, M.,
Constituents of top fragrance from fresh flowers of Robinia Pseudoacacia L. occurring in China,
Flavour Fragr. J., 2006, 21, 5, 798-800, https://doi.org/10.1002/ffj.1720
. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius,
Chemija, 2004, 15, 4, 64-68. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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