Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
- IUPAC Standard InChIKey: RMIANEGNSBUGDJ-BDAKNGLRSA-N
- CAS Registry Number: 29606-79-9
- 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. - Stereoisomers:
- Other names: p-Menth-8-en-3-one, trans-; trans-Isopulegone; Isopulegon; Isopulegone; trans-5-methyl-2-(1-methylvinyl)cyclohexan-1-one
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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 | HP-5 | HP-5 | HP-5MS | BPX-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 70. |
| Tend (C) | 240. | 240. | 230. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 2. | 5. | 3. | ||
| Final hold (min) | 10. | 10. | 2. | ||
| I | 1193. | 1208. | 1160. | 1199. | 1155. |
| Reference | Bertoli, Lepnardi, et al., 2011 | Bertoli, Lepnardi, et al., 2011 | Li and Jiang, 2004 | Vilaseca, Guy, et al., 2004 | Phatak and Heble, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-1 |
| Column length (m) | 25. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 40. |
| Tend (C) | 220. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 5. |
| Final hold (min) | 5. |
| I | 1152. |
| Reference | Oberhofer, Nikiforov, et al., 1999 |
| Comment | 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.
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Li and Jiang, 2004
Li, R.; Jiang, Z.-T.,
Chemical composition of the essential oil of Cuminum cyminum L. from China,
Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302
. [all data]
Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A.,
Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils,
J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749
. [all data]
Phatak and Heble, 2002
Phatak, S.V.; Heble, M.R.,
Organogenesis and terpenoid synthesis in Mentha arvensis,
Fitoterapia, 2002, 73, 1, 32-39, https://doi.org/10.1016/S0367-326X(01)00347-1
. [all data]
Oberhofer, Nikiforov, et al., 1999
Oberhofer, B.; Nikiforov, A.; Buchbauer, G.; Jirovetz, L.; Bicchi, C.,
Investigation of the alteration of the composition of various essential oils used in aroma lamp applications,
Flavour Fragr. J., 1999, 14, 5, 293-299, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<293::AID-FFJ829>3.0.CO;2-T
. [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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