2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
IUPAC Standard InChIKey: SEZLYIWMVRUIKT-UHFFFAOYSA-N
CAS Registry Number: 529-01-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: p-Mentha-1,8-dien-3-one; Isopiperitenon; Isopiperitenone
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Normal alkane RI, polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax FSC	Innowax FSC	HP-Innowax FSC	HP-Innowax	HP-Innowax
Column length (m)	60.	60.	60.	60.	60.
Carrier gas	Helium	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C	60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
I	1865.	1865.	1865.	1865.	1865.
Reference	Demirci, Temel, et al., 2011	Kosar, Özek, et al., 2005	Viljoen, Subramoney, et al., 2005	Demirci, Baser, et al., 2002	Baser, Demirci, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Demirci, Temel, et al., 2011
Demirci, B.; Temel, H.E.; Portakai, T.; Kirmizibekmez, H.; Demirci, F.; Baser, K.H.C., Inhibitory effect of Calamintha neleta subsp. glandulosa essential oil on lipoxygenase, Turk. J. Biochem., 2011, 36, 4, 290-295. [all data]

Kosar, Özek, et al., 2005
Kosar, M.; Özek, T.; Göger, F.; Kürkcüoglu, M.; Hüsnü Can Baser, K., Comparison of Microwave-Assisted Hydrodistillation and Hydrodistillation Methods for the Analysis of Volatile Secondary Metabolites, Pharm. Biol., 2005, 43, 6, 491-495, https://doi.org/10.1080/13880200500220136 . [all data]

Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B., The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils, J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017 . [all data]

Demirci, Baser, et al., 2002
Demirci, B.; Baser, K.H.C.; Tümen, G., Composition of the essential oil of Salvia aramiensis Rech. fil. growing in Turkey, Flavour Fragr. J., 2002, 17, 1, 23-25, https://doi.org/10.1002/ffj.1027 . [all data]

Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N., Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone, Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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