Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: QMAYBMKBYCGXDH-KFWWJZLASA-N
- CAS Registry Number: 24406-05-1
- 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: α-Cadinene; [1s-(1a,4ab,8aa)]-1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1methylethyl)-naphthalene; (1S,4aR,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene; Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)-; (-)-α-Cadinene; α-Cadinene, (-)-; Cadina-4,9-diene-, (-)-
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- Other data available:
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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 | 5 % Phenyl polydimethyl siloxane | CBP-5 | HP-5 | HP-5 MS | HP-5 MS |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 60 0C 3 0C/min -> 246 0C 10 0C/min -> 270 0C (5 min) | not specified | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified |
I | 1538. | 1541. | 1539. | 1537. | 1536. |
Reference | Chaverri, Diaz, et al., 2011 | Fortes, Naves, et al., 2011 | Kahriman, Tosun, et al., 2011 | Nance and Setzer, 2011 | Payo, Colo, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-5 | DB-5 | DB-1-MS | HP-5 |
Column length (m) | 30. | 30. | 60. | 25. | |
Carrier gas | Hydrogen | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.17 | |
Program | not specified | 35 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 280 0C | not specified | not specified | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
I | 1538. | 1538. | 1538. | 1534. | 1533. |
Reference | Payo, Colo, et al., 2011 | Pontes, Silva, et al., 2010 | Scherer, Wagner, et al., 2010 | Takeoka, Hobbs, et al., 2010 | Custer, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 MS | RTX-5 | RTX-5 | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | not specified | 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min) | not specified | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
I | 1538. | 1538. | 1519. | 1514. | 1539. |
Reference | Custer, 2009 | Su, Wang, et al., 2009 | Zachariah, Leela, et al., 2008 | Zachariah, Leela, et al., 2008 | Nivinsliene, Butkiene, et al., 2007 |
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.
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Fortes, Naves, et al., 2011
Fortes, G.A.C.; Naves, S.S.; Godoi, F.F.F.; Duarte, A.R.; Ferri, P.H.; Santos, S.C.,
Assessment of a maturity index in Jabuticaba fruit by the evaluation of phenolic compounds, essential oil components, sugar content and total acidity,
Amer. J. Food Technol., 2011, 6, 11, 974-984, https://doi.org/10.3923/ajft.2011.974.984
. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N.,
Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing,
J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Pontes, Silva, et al., 2010
Pontes, W.J.T.; Silva, J.M.O.; ds Camara, C.A.G.; Gondim-Junior, M.G.C.; Oliveira, J.V.,
Chemical composition and acaricidal activity of the essential oils from fruits and leaves of Protium bahianum Daly,
J. Essential Oil Res., 2010, 22, 3, 279-282, https://doi.org/10.1080/10412905.2010.9700324
. [all data]
Scherer, Wagner, et al., 2010
Scherer, R.; Wagner, R.; Meireles, M.A.A.; Godoy, H.T.; Duarte, M.C.T.; Filho, J.T.,
Biological activity and chemical composition of hydrodistilled and supercritical extracts of Xanthium strumarium L. leaves,
J. Essen. Oil. Res., 2010, 22, 5, 424-429, https://doi.org/10.1080/10412905.2010.9700363
. [all data]
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B.,
Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.),
J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [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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