2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
- IUPAC Standard InChIKey: YSTPAHQEHQSRJD-UHFFFAOYSA-N
- CAS Registry Number: 89-81-6
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: p-Menth-1-en-3-one; Piperitone; 3-Carvomenthenone; 1-Methyl-4-isopropyl-1-cyclohexen-3-one; 6-Isopropyl-3-methyl-2-cyclohexen-1-one; 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-one; 3-Methyl-6-isopropyl-2-cyclohexen-1-one; 6-isopropyl-3-methylcyclohex-2-enone
- Information on this page:
- Other data available:
- Options:
Kovats' RI, non-polar column, custom temperature program
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-5MS | BP-1 | HP-5 | AT-5 | DB-5 |
| Column length (m) | 30. | 25. | 30. | 60. | 30. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | not specified | 60 C (1 min) 4 K/min -> 200 C 10 K/min -> 280 C | not specified |
| I | 1250. | 1228. | 1252. | 1270. | 1252. |
| Reference | Tuberoso, Kowalczyk, et al., 2005 | Dwivedi, Khan, et al., 2004 | Shellie and Marriott, 2003 | Rojas and Usubillaga, 2000 | Adams, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | BP-1 |
| Column length (m) | 30. | 25. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | |
| Program | 40C => 2C/min => 60C => 4C/min => 240C | not specified |
| I | 1250. | 1231. |
| Reference | Santos, Andrade, et al., 1998 | MacLeod, MacLeod, et al., 1988 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913
. [all data]
Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A.,
Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India,
Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Rojas and Usubillaga, 2000
Rojas, L.B.; Usubillaga, A.,
Composition of the essential oil fo Satureja brownei (SW.) Briq. from Venezuela,
Flavour Fragr. J., 2000, 15, 1, 21-22, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<21::AID-FFJ861>3.0.CO;2-G
. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
Santos, Andrade, et al., 1998
Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S.,
Volatile constituents of fruits of Annona glabra L. from Brazil,
Flavour Fragr. J., 1998, 13, 3, 148-150, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<148::AID-FFJ711>3.0.CO;2-Y
. [all data]
MacLeod, MacLeod, et al., 1988
MacLeod, A.J.; MacLeod, G.; Subramanian, G.,
Volatile aroma constituents of orange,
Phytochemistry, 1988, 27, 7, 2185-2188, https://doi.org/10.1016/0031-9422(88)80123-7
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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