Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
- IUPAC Standard InChIKey: NFLGAXVYCFJBMK-RKDXNWHRSA-N
- CAS Registry Number: 491-07-6
- 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-Menthan-3-one, cis-; cis-p-Menthan-3-one; Isomenthone; p-Menthan-3-one, (Z)-; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (Z)-; 2-Isopropyl-5-methyl-cyclohexanone, cis; 5-Methyl-2-(1-methylethyl)cyclohexanone, (Z)-; α-Isomenthone; cis-5-Methyl-2-(1-methylethyl)-cyclohexanone; Isomenthon; cis-Menthone; cis-p-Menthone; (2R,5R)-2-isopropyl-5-methylcyclohexanone, rel-; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-; dl-Isomenthone
- 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 | DB-Wax | FFAP | BP-20 | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 20. | 50. | 25. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.425 |
| Tstart (C) | 40. | 90. | 60. | 50. | 45. |
| Tend (C) | 240. | 220. | 220. | 240. | 300. |
| Heat rate (K/min) | 6. | 4. | 2. | 4. | 3. |
| Initial hold (min) | 10. | 2. | 3. | 3. | |
| Final hold (min) | 25. | 20. | 20. | ||
| I | 1465. | 1478. | 1481. | 1476. | 1484. |
| Reference | Varming, Andersen, et al., 2006 | Agnihotri, Agarwal, et al., 2005 | Baldovini, Ristorcelli, et al., 2000 | Möllenbeck, König, et al., 1997 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | 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.
Varming, Andersen, et al., 2006
Varming, C.; Andersen, M.L.; Poll, L.,
Volatile Monoterpenes in Black Currant (Ribes nigrum L.) Juice: Effects of Heating and Enzymatic Treatment by β-Glucosidase,
J. Agric. Food Chem., 2006, 54, 6, 2298-2302, https://doi.org/10.1021/jf051938k
. [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]
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]
Möllenbeck, König, et al., 1997
Möllenbeck, S.; König, T.; Schreier, P.; Schwab, W.; Rajaonarivony, J.; Ranarivelo, L.,
Chemical composition and analyses of enantiomers of essential oils from Madagascar,
Flavour Fragr. J., 1997, 12, 2, 63-69, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<63::AID-FFJ614>3.0.CO;2-Z
. [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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