Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-

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+/m0/s1
IUPAC Standard InChIKey: NFLGAXVYCFJBMK-DTWKUNHWSA-N
CAS Registry Number: 89-80-5
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
Other names: (2R,5S)-2-Isopropyl-5-methylcyclohexanone; p-Menthan-3-one, trans-; p-Menthone; trans-p-Menthan-3-one; trans-Menthan-3-one; Menthone; trans-Menthone; Menthon; 2-Isopropyl-5-methylcyclohexanone, trans; Menthone racemic; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+./.-.)-; Menthan-3-one, trans; DL-Menthone; Menthone G; Neomenthone; trans-p-Menthone; trans-5-Methyl-2-(1-methylethyl)cyclohexanone
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Other data available:
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Van Den Dool and Kratz RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	SE-52	BPX-5	CP Sil 5 CB	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)	not specified	45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
I	1155.	1172.	1143.	1156.
Reference	Bruni, Bianchi, et al., 2007	Cardeal, da Silva, et al., 2006	Chanegriha, Baaliouamer, et al., 1998	Mondello, Dugo, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes

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]

Chanegriha, Baaliouamer, et al., 1998
Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 1998, 819, 1-2, 61-65, https://doi.org/10.1016/S0021-9673(98)00449-X . [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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