1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
IUPAC Standard InChIKey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
CAS Registry Number: 432-25-7
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: β-Cyclocitral; 1-Formyl-2,6,6-trimethyl-1-cyclohexene; 2,6,6-trimethyl-cyclohexene-1-carboxaldehyde; 2,6,6-Trimethylcyclohex-1-enecarbaldehyde; 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde; 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde; 2,6,6-trimethylcyclohexene-1-carbaldehyde
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Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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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	HP-Innowax FSC	HP Innowax FSP	Carbowax 20M	HP-Innowax FSC	HP-Innowax FSC
Column length (m)	60.	60.		60.	60.
Carrier gas	N2	N2		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	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	not specified	60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I	1638.	1638.	1638.	1638.	1638.
Reference	Tunalier, Candan, et al., 2006	Altintas, Kose, et al., 2004	Vinogradov, 2004	Demirci, Baser, et al., 2003	Kirimer N., Tabanea N., et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax FSC	Innowax FSC	Innowax FSC	Supelcowax 10	Supelcowax 10
Column length (m)	60.	60.	60.	60.	60.
Carrier gas	He	He	He	Helium	Helium
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	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C	60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)	not specified
I	1638.	1638.	1638.	1617.	1611.
Reference	Kivcak B., Mert T., et al., 2001	Saglam, Gozler, et al., 2001	Kirimer, Tabanca, et al., 2000	Castioni and Kapetanidis, 1996	Castioni and Kapetanidis, 1996
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	Supelcowax 10
Column length (m)	60.
Carrier gas	Helium
Substrate
Column diameter (mm)	0.25
Phase thickness (μm)	0.25
Program	not specified
I	1635.
Reference	Castioni and Kapetanidis, 1996
Comment	MSDC-RI

References

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

Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H., The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin, Flavour Fragr. J., 2006, 21, 3, 462-464, https://doi.org/10.1002/ffj.1670 . [all data]

Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of Centaurea dichroa, Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z., Composition of the essential oils of six endemic Salvia spp. from Turkey, Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173 . [all data]

Kirimer N., Tabanea N., et al., 2001
Kirimer N.; Tabanea N.; Demirci B.; Baser K.H.C.; Duman H.; Aytac Z., The essential oil of a new Sideritis species: Sideritis ozturkii Aytac and Aksoy, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 234-237, https://doi.org/10.1023/A:1012561806033 . [all data]

Kivcak B., Mert T., et al., 2001
Kivcak B.; Mert T.; Demirci B.; Baser K.H.C., Composition of the essential oil of Arbutus unedo, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 445-446, https://doi.org/10.1023/A:1014419309885 . [all data]

Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C., Volatile compounds from Haplophyllum myrtifolium, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815 . [all data]

Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C., Essential oils of annual Sideritis species growing in Turkey, Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106 . [all data]

Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I., Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS, Scientia Pharmaceutica, 1996, 64, 83-91. [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
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