3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3aα,4β,7α)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: RTBLDXVIGWSICW-UHFFFAOYSA-N
- CAS Registry Number: 2387-78-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3H-3aβ,7-Methanoazulene, 2,4,5,6,7α,8-hexahydro-1,4α,9,9-tetramethyl-, (-)-; Cyperene; (3aR,4R,7R)-1,4,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-3a,7-methanoazulene
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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-5 MS | HP-5 MS | DB-5 | SPB-5 | SPB-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | not specified | not specified |
I | 1390. | 1396. | 1412. | 1408. | 1409. |
Reference | Feizbakhsh and Naeemy, 2011 | Feizbakhsh and Naeemy, 2011 | Courtois, Paine, et al., 2009 | Kilani, Ledauphin, et al., 2008 | Kilani, Ledauphin, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5 | DB-1 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 30. | 25. | 25. |
Carrier gas | He | Helium | He | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | not specified | 35C => 4C/min => 180C => 10C/min => 250C | 110 0C 2 0C/min -> 160 0C 5 0C/min -> 290 0C (5 min) | not specified |
I | 1399. | 1399. | 1379. | 1398. | 1398. |
Reference | Moronkola, Ogunwande, et al., 2007 | Ristic, Krivokuca-Dokic, et al., 2007 | de Lima, Maia, et al., 2006 | Souza, Souza, et al., 2006 | Souza, Souza, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | DB-1 | HP-5 | Methyl Silicone | OV-101 |
Column length (m) | 30. | 30. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.1 | 0.25 | |||
Program | not specified | 35C => 4C/min => 180C => 10C/min => 250C | not specified | not specified | not specified |
I | 1398. | 1394. | 1386. | 1398. | 1407. |
Reference | Vinogradov, 2004 | Bezerra, Andrade-Neto, et al., 2002 | Aparicio, Romero, et al., 2001 | Zenkevich, 1996 | Menut, Lamaty, et al., 1994 |
Comment | MSDC-RI | 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.
Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A.,
Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran,
Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Kilani, Ledauphin, et al., 2008
Kilani, S.; Ledauphin, J.; Bouhlel, I.; Ben Sghaier, M.; Boubaker, J.; Skandrani, I.; Mosrati, R.; Ghedira, K.; Barillier, D.; Chekir-Ghedira, L.,
Comparative study of Cyperus rotundus essential oil by a modified GC/MS analysis method. Evaluation of its antioxidantt, cytotoxic, and apoptoic effects,
Chem. Biodiversity, 2008, 5, 5, 729-742, https://doi.org/10.1002/cbdv.200890069
. [all data]
Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O.,
Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray,
J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5
. [all data]
Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R
. [all data]
de Lima, Maia, et al., 2006
de Lima, M.G.A.; Maia, I.C.C.; de Sousa, M.D.; de Morais, S.M.; Freitas, S.M.,
Effect of stalk and leaf extracts from euphorbiaceae species on Aedes aegypti (Diptera, culicidae) larvae,
Rev. Inst. Med. trop. S. Paulo, 2006, 48, 4, 211-214, https://doi.org/10.1590/S0036-46652006000400007
. [all data]
Souza, Souza, et al., 2006
Souza, M.A.A.; Souza, S.R.; Veiga, V.F., Jr.; Cortez, J.K.P.C.; Leal, R. de.S.; Dantas, T.N.C.; Maciel, M.A.M.,
Composicao quimica do oleo fixo de Croton cajucara e determinacao das suas propridades fungicidas,
Braz. J. Pharmacognosy, 2006, 16, 599-610. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Bezerra, Andrade-Neto, et al., 2002
Bezerra, M.Z.B.; Andrade-Neto, M.; de Freitas, R.M.,
The essential oil of Porophyllum ruderale Cass (Asteraceae),
J. Essent. Oil Res., 2002, 14, 1, 14-15, https://doi.org/10.1080/10412905.2002.9699746
. [all data]
Aparicio, Romero, et al., 2001
Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.; Usubillaga, A.,
Composition of the essential oil of four species of Ruilopezia from the Venezuelan Andes,
Flavour Fragr. J., 2001, 16, 3, 172-174, https://doi.org/10.1002/ffj.973
. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
Menut, Lamaty, et al., 1994
Menut, C.; Lamaty, G.; Bessiere, J.M.; Ayedoun, M.A.; Setondji, J.; Samate, D.; Nacro, M.,
Aromatic Plants from Tropical West Africa. II. Volatile Constituents of Daniella oliveri (Rolfe) Hutch Dalz. from Benin and Burkina Faso,
J. Essent. Oil Res., 1994, 6, 6, 647-649, https://doi.org/10.1080/10412905.1994.9699362
. [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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