2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChIKey: VCOCESNMLNDPLX-UHFFFAOYSA-N
- CAS Registry Number: 23787-90-8
- 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. - Stereoisomers:
- Other names: 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-; trans-Isolongifolanone; cis-Isolongifolanone; Isolongifolanone, trans- (piconia); 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
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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 | 1606. | Telascrea, de Araujo, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1627. | 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 | HP-5 | 1611. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
Capillary | DB-5 | 1610. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1616. | Isidorov, Krajewska, et al., 2000 | 30. m/0.25 mm/0.25 μm; Program: 40C(1min) => 3C/min => 120C => 5C/min => 280C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1606. | Karimi, Farmani, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1620. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | HP-5MS | 1619. | Ebrahim Sajjadi and Mehregan, 2006 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | DB-5MS | 1592. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1613. | Arriaga, Rodrigues, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C |
Capillary | DB-5 | 1618. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Telascrea, de Araujo, et al., 2007
Telascrea, M.; de Araujo, C.C.; Marques, M.O.M.; Facanali, R.; de Moraes, P.L.R.; Cavalheiro, A.J.,
Essential oil from leaves of Cryptocarya mandioccana Meisner (Lauraceae): Composition and intraspecific chemical variability,
Biochem. Syst. Ecol., 2007, 35, 4, 222-232, https://doi.org/10.1016/j.bse.2006.09.015
. [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]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Isidorov, Krajewska, et al., 2000
Isidorov, V.; Krajewska, U.; Bal, K.; Jaroszynska, J.; Niesluchowska, A.; Fuksman, I.,
GC-MS identification of multicomponent organic compounds mixtures using extra column phase equilibrium,
Chem. Anal. (Warsaw), 2000, 45, 513-520. [all data]
Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H.,
A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves,
Amer. J. Sci. Res., 2011, 38, 36-40. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Ebrahim Sajjadi and Mehregan, 2006
Ebrahim Sajjadi, S.; Mehregan, I.,
Volatile constituents of flowers and leaves of Anthemis hyalina,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 531-533, https://doi.org/10.1007/s10600-006-0207-2
. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Arriaga, Rodrigues, et al., 2007
Arriaga, A.M.C.; Rodrigues, F.E.A.; Lemos, T.L.G.; de Oliveira, M. daC.F.; Lima, J.Q.; Santiago, G.M.P.; Braz-Filho, R.B.; Mafezoli, J.,
Composition and larvicidal activity os essential oil from Stemodia maritima L.,
Natural Product Communications, 2007, 2, 12, 1237-1239. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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