Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4α,4aα,7α,7aα)-
- Formula: C10H16O2
- Molecular weight: 168.2328
- IUPAC Standard InChI: InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
- IUPAC Standard InChIKey: LSRNBGXEEKNZHN-HXFLIBJXSA-N
- CAS Registry Number: 17672-96-7
- 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. - Other names: Cyclopenta[c]pyran-1(3H)-one, hexahydro-4α,7α-dimethyl-; α-Dihydronepetalactone; Isodihydronepetalactone; Isonepetalactone, dihydro-; Nepetalactone, α-dihydro-; Nepetalactone, isodihydro-; 4α,7α-Dimethylhexahydrocyclopenta[c]pyran-1(3H)-one; 3,4α-dihydro-4aα,7α,7aα-Nepetalactone; Dihydronepetalactone
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1430. | Zhao, Wang X.Y., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 10. K/min; Tend: 260. C |
| Capillary | DB-5 | 1414. | Javidnia, Miri, et al., 2002 | He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 275. C |
| Capillary | HP-5 | 1414. | Skaltsa, Lazari, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1393. | Malizia, Molli, et al., 1996 | 30. m/0.53 mm/0.88 μm, N2, 8. K/min, 300. C @ 15. min; Tstart: 60. C |
| Capillary | OV-1 | 1370. | de Pooter, Nicolai, et al., 1988 | 50. m/0.20 mm/0.20 μm, He, 2. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Optima-5MS | 1397. | HEuskin, Godin, et al., 2009 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min) |
| Capillary | OV-1 | 1369. | Suschke, Sporer, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 130 0C 10 0C/min -> 300 0C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1992. | Malizia, Molli, et al., 1996 | 30. m/0.319 mm/0.25 μm, N2, 8. K/min, 300. C @ 15. min; Tstart: 60. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y.,
Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China,
Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Safavi, F.; Azarpira, A.; Shafiee, A.,
Composition of the essential oil of Nepeta persica Boiss from Iran,
Flavour Fragr. J., 2002, 17, 1, 20-22, https://doi.org/10.1002/ffj.1023
. [all data]
Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T.,
Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece,
Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F
. [all data]
Malizia, Molli, et al., 1996
Malizia, R.A.; Molli, J.S.; Cardell, D.A.; Retamar, J.A.,
Volatile constituents of the essential oil of Nepeta cataria L. grown in Cordoba Province (Argentina),
J. Essent. Oil Res., 1996, 8, 5, 565-567, https://doi.org/10.1080/10412905.1996.9700691
. [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]
HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G.,
Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae),
J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109
. [all data]
Suschke, Sporer, et al., 2007
Suschke, U.; Sporer, F.; Schneele, J.; Geiss, H.K.; Reichling, J.,
Antibacterial and Cytotoxic activity of Nepeta cataria L., Nepeta cataria var. citriodora (Beck.) Balb. and Melissa officinalis L. essential oils,
Natural Product Communications, 2007, 2, 12, 1277-1286. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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