4-Isopropylcyclohexa-1,3-dienecarbaldehyde
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3
- IUPAC Standard InChIKey: MKVBITWQDIIUMF-UHFFFAOYSA-N
- CAS Registry Number: 1197-15-5
- 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: 1,3-Cyclohexadiene-1-carboxaldehyde, 4-(1-methylethyl)-; 1,3-Cyclohexadiene-1-carboxaldehyde, 4-isopropyl-; 1,3-p-Menthadien-7-al; α-Terpinen-7-al; p-Mentha-1,3-dien-7-al; Terpinen-7-al
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP Innowax FSP | HP-Innowax FSC | HP-Innowax | Innowax | Innowax |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
| I | 1811. | 1811. | 1814. | 1811. | 1811. |
| Reference | Tabanca N., Demirci B., et al., 2007 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Piasenzotto, Gracco, et al., 2003 | Tunaher, Kirimer, et al., 2003 | Özcan, Akgül, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Innowax FSC | Innowax |
| Column length (m) | 60. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1811. | 1815. |
| Reference | Kirimer, Tabanca, et al., 2000 | Baser, Kürkcüoglu, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E.,
Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils,
J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c
. [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]
Piasenzotto, Gracco, et al., 2003
Piasenzotto, L.; Gracco, L.; Conte, L.,
Solid phase microextraction (SPME) applied to honey quality control,
J. Sci. Food Agric., 2003, 83, 10, 1037-1044, https://doi.org/10.1002/jsfa.1502
. [all data]
Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [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]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [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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