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:
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Van Den Dool and Kratz RI, 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 | BP-20 | HP-Innowax | RTX-Wax | BP-20 | FFAP |
| Column length (m) | 50. | 30. | 60. | 50. | 20. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 90. |
| Tend (C) | 220. | 280. | 230. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. | 4. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | 30. | 20. | ||
| I | 1736. | 1743. | 1730. | 1722. | 1760. |
| Reference | Castilho, Liu, et al., 2007 | Kundakovic, Fokialakis, et al., 2007 | Muselli, Rossi, et al., 2007 | Gonny, Cavaleiro, et al., 2006 | Agnihotri, Agarwal, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | RTX-Wax | BP-20 | BP-20 | DB-Wax |
| Column length (m) | 60. | 30. | 50. | 50. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.22 | 0.22 | 0.53 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 1.0 |
| Tstart (C) | 60. | 45. | 60. | 60. | 50. |
| Tend (C) | 200. | 240. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. | 3. |
| Initial hold (min) | 6. | ||||
| Final hold (min) | 10. | 10. | 20. | ||
| I | 1691. | 1693. | 1739. | 1730. | 1710. |
| Reference | Smadja, Rondeau, et al., 2005 | Dugo, Mondello, et al., 2004 | Lota, Serra, et al., 2001 | Baldovini, Ristorcelli, et al., 2000 | Brophy, Goldsack, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CP-Wax 52CB | BP-20 | Carbowax 20M |
| Column length (m) | 50. | 50. | 60. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.425 | |
| Tstart (C) | 40. | 60. | 45. |
| Tend (C) | 220. | 230. | 300. |
| Heat rate (K/min) | 4. | 2. | 3. |
| Initial hold (min) | 5. | 3. | |
| Final hold (min) | 30. | 35. | 20. |
| I | 1709. | 1730. | 1717. |
| Reference | Chevance and Farmer, 1999 | Lota, Serra, et al., 1999 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J.,
Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira,
Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771
. [all data]
Kundakovic, Fokialakis, et al., 2007
Kundakovic, T.; Fokialakis, N.; Kovacevic, N.; Chinou, I.,
Essential oil composition of Achillea lingulata and A. umbellata,
Flavour Fragr. J., 2007, 22, 3, 184-187, https://doi.org/10.1002/ffj.1778
. [all data]
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Agnihotri, Agarwal, et al., 2005
Agnihotri, V.K.; Agarwal, S.G.; Dhar, P.L.; Thappa, R.K.; Baleshwar; Kapahi, B.K.; Saxena, R.K.; Qazi, G.N.,
Essential oil composition of Mentha pulegium L. growing wild in the north-western Himalayas India,
Flavour Fragr. J., 2005, 20, 6, 607-610, https://doi.org/10.1002/ffj.1497
. [all data]
Smadja, Rondeau, et al., 2005
Smadja, J.; Rondeau, P.; Sing, A.S.C.,
Volatile constituents of five Citrus Petitgrain essential oils from Reunion,
Flavour Fragr. J., 2005, 20, 4, 399-402, https://doi.org/10.1002/ffj.1438
. [all data]
Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734
. [all data]
Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of sour orange,
Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D
. [all data]
Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J.,
Infraspecific variability of the essential oil of Calamintha nepeta from Corsica (France),
Flavour Fragr. J., 2000, 15, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<50::AID-FFJ871>3.0.CO;2-F
. [all data]
Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V
. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
. [all data]
Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J.,
Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush.,
Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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