1,3,5-Cycloheptatriene, 3,7,7-trimethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3
- IUPAC Standard InChIKey: VOURXYUVXXLJMD-UHFFFAOYSA-N
- CAS Registry Number: 3479-89-8
- 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: 3,7,7-Trimethylcyclohepta-1,3,5-triene; 3,7,7-Trimethyl-1,3,5-cycloheptatriene
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 70. | 953. | Udarov, Manukov, et al., 1987 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 972.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 980. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 970. | Romanenko and Tkachev, 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; Tend: 280. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Udarov, Manukov, et al., 1987
Udarov, B.G.; Manukov, E.N.; Vyglazov, O.G.; Chuiko, V.A.; Izotova, L.V.,
Gas-chromatographic analysis of alkylated derivatives of carane and of cyclohelptane in capillary columns,
Chem. Nat. Compd. (Engl. Transl.), 1987, 22, 4, 398-403, https://doi.org/10.1007/BF00579809
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [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]
Romanenko and Tkachev, 2006
Romanenko, E.P.; Tkachev, A.V.,
Identification by GC-MS of cymene isomers and 3,7,7-trimethylcyclohepta-1,3,5-triene in essential oils,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 699-701, https://doi.org/10.1007/s10600-006-0256-6
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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