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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-1 | OV-1 |
| Column length (m) | 30. | 50. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.53 | 0.20 |
| Phase thickness (μm) | 0.88 | 0.20 |
| Tstart (C) | 60. | 30. |
| Tend (C) | 300. | 220. |
| Heat rate (K/min) | 8. | 2. |
| Initial hold (min) | ||
| Final hold (min) | 15. | |
| I | 1393. | 1370. |
| Reference | Malizia, Molli, et al., 1996 | 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.
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]
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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