1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1α,2α,3aβ,4α,8aβ,9R*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: WCEIQUQVIOGRBF-UHFFFAOYSA-N
- CAS Registry Number: 1137-12-8
- 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:
- Other names: Longicyclene; 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1α,2α,3aβ,4α,8aβ,9R)]-; (1S,2R,3aR,4R,8aS,9S)-1,5,5,8a-Tetramethyldecahydro-1,2,4-(epimethanetriyl)azulene; α-Longicyclene; [1S-(1α,2α,3aβ,4α,8aβ,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene
- 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 | DB-5 | HP-5 | ZB-1 | DB-1 | ZB-5 |
Column length (m) | 30. | 30. | 30. | 50. | 60. |
Carrier gas | Helium | Helium | Nitrogen | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 100. | 45. | 95. | 40. |
Tend (C) | 250. | 240. | 230. | 240. | 250. |
Heat rate (K/min) | 10. | 5. | 3. | 4. | 6. |
Initial hold (min) | 1. | 2. | 7. | ||
Final hold (min) | 3. | 5. | 1. | ||
I | 1371. | 1373. | 1370. | 1368. | 1401. |
Reference | Yang, Zhang, et al., 2010 | Lago, Romoff, et al., 2008 | Mierendorff, Stahl-Biskup, et al., 2008 | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | Dötterl, Wolfe, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | ZB-1 | 5 % Phenyl methyl siloxane | SPB-5 | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. |
Carrier gas | N2 | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 75. | 60. | 65. |
Tend (C) | 230. | 200. | 240. | 300. |
Heat rate (K/min) | 3. | 3. | 3. | 4. |
Initial hold (min) | 4. | 2. | ||
Final hold (min) | 8. | 20. | ||
I | 1370. | 1374. | 1376. | 1378. |
Reference | Mierendorff, Stahl-Biskup, et al., 2003 | Cicció and Gómez-Laurito, 2002 | Doneanu and Anitescu, 1998 | Elias, Simoneit, et al., 1997 |
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.
Yang, Zhang, et al., 2010
Yang, X.; Zhang, H.; Zhang, Y.; Zhao, H.; Dong, A.; Xu, L.; Yang, L.; Ma, Y.; Wang, J.,
Analysis if the essential oils of pine cones of Pinus koraiensis Steb. et Zucc. and P. sylvestris L. from China,
J. Essen. Oil Res., 2010, 22, 5, 446-448, https://doi.org/10.1080/10412905.2010.9700368
. [all data]
Lago, Romoff, et al., 2008
Lago, J.H.G.; Romoff, P.; Favero, O.A.; Souza, F.O.; Soares, M.G.; Baraldi, P.T.; Correa, A.G.,
Chemical composition of male and female Baccharis trimera (Less.) DC. (Asteraceae) essential oils,
Biochem. Systematics Ecol., 2008, 36, 9, 737-740, https://doi.org/10.1016/j.bse.2008.05.009
. [all data]
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J.,
Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain,
Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727
. [all data]
Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002
. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
Cicció and Gómez-Laurito, 2002
Cicció, J.F.; Gómez-Laurito, J.,
Volatile constituents of the leaves of Siparuna thecaphora (Siparunaceae) from Turrialba, Costa Rica,
Rev. Biol. Trop., 2002, 50, 3/4, 963-967. [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]
Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N.,
Analysis of volatile sesquiterpenoids in environmental and geological samples,
J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602
. [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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