4aα,7α,7aα-Nepetalactone
- Formula: C10H14O2
- Molecular weight: 166.2170
- IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m1/s1
- IUPAC Standard InChIKey: ZDKZHVNKFOXMND-YEPSODPASA-N
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: cis,cis-Nepetalactone; Nepetalactone, 4aa,7a,7aa
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- Other data available:
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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-1 | DB-1 | DB-1 | DB-1 | CP Sil 5 CB |
| Column length (m) | 60. | 60. | 60. | 60. | 25. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.39 | |||
| Tstart (C) | 40. | 40. | 50. | 50. | 60. |
| Tend (C) | 250. | 280. | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 5. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1322. | 1322. | 1317. | 1323. | 1337. |
| Reference | Sefidkon, Jamzad, et al., 2006 | Sefidkon and Shaabani, 2004 | Dabiri and Sefidkon, 2003 | Dabiri and Sefidkon, 2003, 2 | Rustaiyan and Nadji, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-1 | OV-1 |
| Column length (m) | 30. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.20 |
| Tstart (C) | 40. | 30. |
| Tend (C) | 270. | 220. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | 4. | |
| Final hold (min) | ||
| I | 1344. | 1322. |
| Reference | Kökdil, Kurucu, et al., 1997 | de Pooter, Nicolai, et al., 1988 |
| Comment | 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.
Sefidkon, Jamzad, et al., 2006
Sefidkon, F.; Jamzad, Z.; Mirza, M.,
Chemical composition of the essential oil of five Iranian Nepeta species (N. crispa, N. mahanensis, N. ispahanica, N. eremophila and N. rivularis),
Flavour Fragr. J., 2006, 21, 5, 764-767, https://doi.org/10.1002/ffj.1668
. [all data]
Sefidkon and Shaabani, 2004
Sefidkon, F.; Shaabani, A.,
Essential oil composition of Nepeta meyeri Benth. from Iran,
Flavour Fragr. J., 2004, 19, 3, 236-238, https://doi.org/10.1002/ffj.1294
. [all data]
Dabiri and Sefidkon, 2003
Dabiri, M.; Sefidkon, F.,
Chemical composition of the essential oil of Nepeta racemosa Lam. from Iran,
Flavour Fragr. J., 2003, 18, 2, 157-158, https://doi.org/10.1002/ffj.1151
. [all data]
Dabiri and Sefidkon, 2003, 2
Dabiri, M.; Sefidkon, F.,
Chemical compositional of Nepeta crassifolia Boiss. Buhse oil from Iran,
Flavour Fragr. J., 2003, 18, 3, 225-227, https://doi.org/10.1002/ffj.1199
. [all data]
Rustaiyan and Nadji, 1999
Rustaiyan, A.; Nadji, K.,
Composition of the essential oils of Nepeta ispahanica Boiss. and Nepeta binaludensis Jamzad from Iran,
Flavour Fragr. J., 1999, 14, 1, 35-37, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<35::AID-FFJ776>3.0.CO;2-N
. [all data]
Kökdil, Kurucu, et al., 1997
Kökdil, G.; Kurucu, S.; Topcu, G.,
Chemical constituents of the essential oils of Nepeta italica L. and Nepeta sulfuriflora P. H. Davis,
Flavour Fragr. J., 1997, 12, 1, 33-35, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<33::AID-FFJ609>3.0.CO;2-V
. [all data]
de Pooter, Nicolai, et al., 1988
de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P.,
The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis,
Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404
. [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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