(1R,2R,4S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decan-4-ol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3
- IUPAC Standard InChIKey: LPXOPRGPLUWGKB-UHFFFAOYSA-N
- CAS Registry Number: 124753-76-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Tricyclo[4.4.0.02,7]decan-4-ol, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2R,4S,6S,7S,8S)-rel-; β-Copaen-4α-ol; β-Copaene-4α-ol
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 | DB-5 MS | HP-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.35 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 |
| Program | 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C (2 min) | 80 0C (1.5 min) 4 pC/min -> 180 0C 10 0C/min -> 300 0C (10 min) | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | 35C => 4C/min => 180C => 20C/min => 280C |
| I | 1595. | 1591. | 1584. | 1556. |
| Reference | Veres, Csupor-Loffler, et al., 2012 | Silva, Doria, et al., 2008 | Merle, Verdeguer, et al., 2007 | Viana, Andrade-Neto, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Veres, Csupor-Loffler, et al., 2012
Veres, K.; Csupor-Loffler, B.; Lazar, A.; Holmann, J.,
Antifungal activity and composition of essential oils of Conyza canadensis herbs and roots,
The Sci. World. J., 2012, 2012, 1-5, https://doi.org/10.1100/2012/489646
. [all data]
Silva, Doria, et al., 2008
Silva, W.L.; Doria, G.A.A.; Maia, R.T.; Nunes, R.S.; Carvalho, G.A.; Blank, A.F.; Alves, P.B.; Marcal, R.M.; Cavalcanti, S.C.H.,
Effects of essential oils on Aedes aegypti larvae: alternatives to environmentally safe insecticides,
Bioresource Technol., 2008, 99, 8, 3251-3255, https://doi.org/10.1016/j.biortech.2007.05.064
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Viana, Andrade-Neto, et al., 2002
Viana, F.A.; Andrade-Neto, M.; Pouliquen, Y.B.M.; Uchoa, D.E.A.; Sobral, M.M.S.Z.; de Morais, S.M.,
Essential oil of Siparuna guianensis aublet from the Amazon region of Brazil,
J. Essent. Oil Res., 2002, 14, 1, 60-62, https://doi.org/10.1080/10412905.2002.9699765
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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