2,2,4,4-Tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione
- Formula: C15H22O4
- Molecular weight: 266.3328
- IUPAC Standard InChI: InChI=1S/C15H22O4/c1-8(2)7-9(16)10-11(17)14(3,4)13(19)15(5,6)12(10)18/h8,10H,7H2,1-6H3
- IUPAC Standard InChIKey: YDWYMAHAWHBPPT-UHFFFAOYSA-N
- CAS Registry Number: 567-75-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Leptospermone; 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(3-methyl-1-oxobutyl)-; 1,3,5-Cyclohexanetrione, 6-isovaleryl-2,2,4,4-tetramethyl-
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1620. | Batista-Pereira, Fernandes, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-5 | 1631. | Su, Ho, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C |
| Capillary | CP Sil 5 CB | 1592. | Pino, Marbot, et al., 2002 | 25. m/0.25 mm/0.25 μm, N2, 60. C @ 6. min, 4. K/min; Tend: 280. C |
| Capillary | DB-1 | 1596. | Perry, van Klink, et al., 1997 | 10. m/0.25 mm/0.25 μm, H2, 5. K/min; Tstart: 80. C; Tend: 160. 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.
Batista-Pereira, Fernandes, et al., 2006
Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C.,
Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species,
J. Braz. Chem. Soc., 2006, 17, 3, 555-561, https://doi.org/10.1590/S0103-50532006000300019
. [all data]
Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H.,
Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba,
Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026
. [all data]
Perry, van Klink, et al., 1997
Perry, N.B.; van Klink, J.W.; Brennan, N.J.; Harris, W.; Anderson, R.E.; Douglas, M.H.; Smallfield, B.M.,
Essential oils from New Zealand manuka and kanuka: chemotaxonomy of Kunzea,
Phytochemistry, 1997, 45, 8, 1605-1612, https://doi.org/10.1016/S0031-9422(97)00203-3
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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