1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1α,2α,3aβ,4α,5α,7aβ,8S*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3
- IUPAC Standard InChIKey: XBWACJDEQIZTPR-UHFFFAOYSA-N
- CAS Registry Number: 22469-52-9
- 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: (+)-Cyclosativene; Cyclosativene; 1,2α,4-Methenoindan, 3aβ,4β,5,6,7,7a-hexahydro-5α-isopropyl-1β,7aβ-dimethyl-; (1S,2S,3aR,4R,5S,7aS,8R)-5-Isopropyl-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)indene; 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, (1S,2S,3aR,4R,5S,7aS,8R)-; Cycloisosativene; (+)-Cycloisosativene
- Information on this page:
- Other data available:
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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 | RTX-Wax | HP-Wax | RTX-Wax | RTX-Wax |
| Column length (m) | 50. | 60. | 30. | 60. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 45. |
| Tend (C) | 220. | 230. | 220. | 230. | 250. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 3. |
| Initial hold (min) | 10. | 6. | |||
| Final hold (min) | 20. | 35. | 45. | 10. | |
| I | 1487. | 1483. | 1522. | 1473. | 1465. |
| Reference | Duquesnoy, Dinh, et al., 2006 | Paolini, Costa, et al., 2005 | Bader, Caponi, et al., 2003 | Cavalli, Tomi, et al., 2003 | Mondello, Zappia, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | BP-20 |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.22 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 230. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | 35. |
| I | 1471. |
| Reference | Mariotti, Tomi, et al., 1997 |
| Comment | 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.
Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J.,
Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin,
Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G.,
Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type,
Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108
. [all data]
Mariotti, Tomi, et al., 1997
Mariotti, J.P.; Tomi, F.; Casanova, J.; Costa, J.; Bernardini, A.F.,
Composition of the essential oil of Cistus Iadaniferus L. cultivated in corsica (France),
Flavour Fragr. J., 1997, 12, 3, 147-151, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<147::AID-FFJ631>3.0.CO;2-Q
. [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
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