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, 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 |
|---|---|---|---|
| Active phase | SE-52 | BPX-5 | SE-52 |
| Column length (m) | 30. | 30. | 60. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.40 |
| Program | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
| I | 1167. | 1182. | 1168. |
| Reference | Bruni, Bianchi, et al., 2007 | Cardeal, da Silva, et al., 2006 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Bruni, Bianchi, et al., 2007
Bruni, R.; Bianchi, A.; Bellardi, M.G.,
Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV),
Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760
. [all data]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [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, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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