2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
- IUPAC Standard InChIKey: WPGPCDVQHXOMQP-SECBINFHSA-N
- CAS Registry Number: 499-71-8
- 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-6-en-2-one, (S)-(+)-; (+)-Carvotanacetone; Carvotanacetone, (+)-; (S)-5-Isopropyl-2-methylcyclohex-2-enone; Carvotanacetone; Carvotanaceton
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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-5 | SPB-1 | 5 % Phenyl methyl siloxane | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | He | Helium | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 70. | 60. | 70. | 60. |
| Tend (C) | 250. | 220. | 280. | 280. | 240. |
| Heat rate (K/min) | 2. | 3. | 3. | 4. | 3. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 15. | 30. | |||
| I | 1247. | 1218. | 1218. | 1246. | 1225. |
| Reference | Ho, Wang, et al., 2010 | Pinto, Salgueiro, et al., 2007 | Marongiu, Piras, et al., 2006 | Pino, Marbot, et al., 2006 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5MS | HP-5 | SPB-5 |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 240. | 280. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. |
| Initial hold (min) | |||
| Final hold (min) | 20. | ||
| I | 1247. | 1230. | 1249. |
| Reference | Maia, Taveira, et al., 2003 | Pitarokili, Tzakou, et al., 2003 | Doneanu and Anitescu, 1998 |
| Comment | MSDC-RI | 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.
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]
Pinto, Salgueiro, et al., 2007
Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J.,
In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis,
Ind. Crops Prod., 2007, 26, 2, 135-141, https://doi.org/10.1016/j.indcrop.2007.02.004
. [all data]
Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A.,
Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction,
Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684
. [all data]
Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P.,
Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley,
J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
J. Essent. Oil Res., 2005, 17, 1, 61-63, https://doi.org/10.1080/10412905.2005.9698831
. [all data]
Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B.,
Essential oils of Lippia grandis Schau.,
Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241
. [all data]
Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534
. [all data]
Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.