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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Normal alkane 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 | DB-Wax | DB-Wax | Innowax FSC | RTX-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 60. | 60. |
| Carrier gas | Helium | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | ||
| Tstart (C) | 50. | 50. | 60. | 40. | 50. |
| Tend (C) | 220. | 250. | 220. | 180. | 230. |
| Heat rate (K/min) | 3. | 3. | 4. | 5. | 4. |
| Initial hold (min) | 2. | 10. | 5. | ||
| Final hold (min) | 70. | 10. | 20. | 10. | |
| I | 1490. | 1522. | 1492. | 1530. | 1479. |
| Reference | Shimizu, Imayoshi, et al., 2009 | Havlik, Kokoska, et al., 2006 | Lourens, Reddy, et al., 2004 | Galindo-Cuspinera, Lubran, et al., 2002 | Binder, Benson, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 150. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.66 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 60. |
| Tend (C) | 230. | 170. |
| Heat rate (K/min) | 4. | 1. |
| Initial hold (min) | 40. | |
| Final hold (min) | 10. | |
| I | 1478. | 1445. |
| Reference | Binder, Turner, et al., 1990 | Buttery and Ling, 1984 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
. [all data]
Havlik, Kokoska, et al., 2006
Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
Flavour Fragr. J., 2006, 21, 4, 713-717, https://doi.org/10.1002/ffj.1713
. [all data]
Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027
. [all data]
Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A.,
Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h
. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Comparison of yellow starthistle volatiles from different plant parts,
J. Agric. Food Chem., 1990, 38, 3, 764-767, https://doi.org/10.1021/jf00093a038
. [all data]
Buttery and Ling, 1984
Buttery, R.G.; Ling, L.C.,
Corn leaf volatiles: identification using Tenax trapping for possible insect attractants,
J. Agric. Food Chem., 1984, 32, 5, 1104-1106, https://doi.org/10.1021/jf00125a044
. [all data]
Notes
Go To: Top, Normal alkane 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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