4-Acetyl-1-methylcyclohexene

Formula: C₉H₁₄O
Molecular weight: 138.2069
IUPAC Standard InChI: InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
IUPAC Standard InChIKey: HOBBEYSRFFJETF-UHFFFAOYSA-N
CAS Registry Number: 6090-09-1
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.
Other names: 4-Acetyl-1-methyl-1-cyclohexene; Ethanone, 1-(4-methyl-3-cyclohexen-1-yl)-; 1-(4-Methyl-3-cyclohexen-1-yl)ethanone; 1-Methyl-4-acetylcyclohex-1-ene; 4-Acetyl-1-methylcyclohex-1-ene; Cyclohexene, 1-methyl-4-acetyl; Cyclohexene, 4-acetyl-1-methyl; Ketone, methyl 4-methyl-3-cyclohexen-1-yl; Methyl 4-methyl-3-cyclohexen-1-yl ketone; Limona ketone; 4-Methyl-3-cyclohexen-1-yl methyl ketone; 70286-20-3
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
Options:
- Switch to SI units

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	DB-Wax	Innowax FSC	HP-Innowax FSC	Innowax FSC	Innowax FSC
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)	0.50	0.25	0.25	0.25	0.25
Program	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C	60(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
I	1570.	1568.	1568.	1568.	1568.
Reference	Miyazaki, Plotto, et al., 2011	Tabanca, Demirci, et al., 2007	Suleimenov Y.M., Atazhanova G.A., et al., 2006	Baser, Özek, et al., 2004	Baser, Demirci, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax	HP-Innowax	HP-Innowax	Innowax
Column length (m)	60.	60.	60.	60.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
Program	60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C	60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C	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
I	1568.	1568.	1568.	1568.
Reference	Baser, Demirci, et al., 2001	Gören, Demirci, et al., 2001	Tabanca, Kirimer, et al., 2001	Baser, Özek, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Tabanca, Demirci, et al., 2007
Tabanca, N.; Demirci, F.; Demirci, B.; Wedge, D.E.; Baser, K.H.C., Composition, enantiomeric distribution, and antimicrobial activity of Tanacetum argenteum subsp. ?abellifolium essential oil, J. Pharm. Biomed. Anal., 2007, 45, 5, 714-719, https://doi.org/10.1016/j.jpba.2007.08.006 . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E., Essential oils of some Boswellia spp., myrrh and opopanax, Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166 . [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]

Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C., Composition of the essential oils of Tanacetum spp. from Turkey, Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976 . [all data]

Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H., Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol, J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034 . [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey, Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L . [all data]

Notes

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.