Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m1/s1
- IUPAC Standard InChIKey: USDOQCCMRDNVAH-RBSFLKMASA-N
- CAS Registry Number: 523-47-7
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cadina-3,9-diene; β-Cadinene, (-)-; (-)-β-Cadinene; Cadine-3,9-diene; NCI-C56008; 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1α,4aβ,8aα)]-; β-Cadinene; beta-Cadinene; Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
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 | ZB-5 | ZB-5 | CP Sil 5 CB | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | Nitrogen | Nitrogen | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 40. | 60. |
| Tend (C) | 200. | 200. | 230. | 260. | 320. |
| Heat rate (K/min) | 5. | 5. | 3. | 4. | 10. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 5. | 4. | |||
| I | 1517. | 1520. | 1523. | 1518. | 1520. |
| Reference | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Usman, Zubair, et al., 2010 | Ristic, Krivokuca-Dokic, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | DB-5 | CP Sil 8 CB | DB-5 | CP Sil 8 CB |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 60. | 60. | 60. | 50. |
| Tend (C) | 210. | 300. | 290. | 300. | 200. |
| Heat rate (K/min) | 2. | 3. | 3. | 3. | 5. |
| Initial hold (min) | 5. | 3. | 5. | 5. | |
| Final hold (min) | |||||
| I | 1522. | 1521. | 1536. | 1520. | 1527. |
| Reference | Tonzibo, Coffy, et al., 2006 | Ferraz, Limberger, et al., 2005 | Suárez, Vásquez, et al., 2005 | Limberger, Sobral, et al., 2004 | Wang, Guo, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5MS | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 35. | 40. | 40. |
| Tend (C) | 250. | 240. | 280. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 15. | 5. | |||
| I | 1520. | 1472. | 1481. | 1530. | 1529. |
| Reference | Limberger, Simões-Pires, et al., 2003 | Zoghbi, Andrade, et al., 2003 | Krauze-Baranowska, Mardarowicz, et al., 2002 | Phutdhawong, Korth, et al., 2002 | Sefidkon, Dabiri, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | 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 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 65. | 60. |
| Tend (C) | 220. | 240. | 240. | 300. | 240. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 3. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | |||||
| I | 1471. | 1473. | 1473. | 1493. | 1474. |
| Reference | Sefidkon and Khajavi, 1999 | Tellez, Canel, et al., 1999 | Zoghbi, Andrade, et al., 1999 | Elias, Simoneit, et al., 1997 | Tellez, Estell, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 45. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 100. |
| Tend (C) | 180. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1532. |
| Reference | Wu, Zhao, et al., 1987 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I.,
Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Usman, Zubair, et al., 2010
Usman, L.A.; Zubair, M.F.; Adabayo, S.A.; Oladosu, I.A.; Muhammad, N.O.; Akolade, J.O.,
Chemical composition of leaf and fruit essential oils of Hoslundia opposita Vahl grown in Nigeria,
Americal-Eurasian J. Agric. Environ. Sci., 2010, 8, 1, 40-43. [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]
Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012
. [all data]
Tonzibo, Coffy, et al., 2006
Tonzibo, Z.F.; Coffy, A.A.; Chalachat, J.C.; N'guessan, Y.T.,
Chemical composition of essential oils of Hoslundia opposita Vahl. from Ivory Coast.,
Flavour Fragr. J., 2006, 21, 5, 789-791, https://doi.org/10.1002/ffj.1715
. [all data]
Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Suárez, Vásquez, et al., 2005
Suárez, A.I.; Vásquez, L.J.; Manzano, M.A.; Compagnone, R.S.,
Essential oil composition of Croton cuneatus and Croton malambo growing in Venezuela,
Flavour Fragr. J., 2005, 20, 6, 611-614, https://doi.org/10.1002/ffj.1498
. [all data]
Limberger, Sobral, et al., 2004
Limberger, R.P.; Sobral, M.; Henriques, A.T.; Menut, C.; Bessière, J.-M.,
Óleos voláteis de espécies de Myrcia nativas do rio grande do sul,
Quim. Nova, 2004, 27, 6, 916-919, https://doi.org/10.1590/S0100-40422004000600015
. [all data]
Wang, Guo, et al., 2004
Wang, H.; Guo, Y.; Zhang, Z.; An, D.,
Fast analysis of volatile compounds in natural essences by automatic Static-Headspace-GC-MS,
J. Instrum. Anal. (Chinese), 2004, 23, 1, 9-13. [all data]
Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T.,
Essential oils of six Gomidesia spp. from southern Brazil,
Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122
. [all data]
Zoghbi, Andrade, et al., 2003
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Carreira, L.M.M.; Maia, J.G.S.,
Essential oils from three Myrcia species,
Flavour Fragr. J., 2003, 18, 5, 421-424, https://doi.org/10.1002/ffj.1242
. [all data]
Krauze-Baranowska, Mardarowicz, et al., 2002
Krauze-Baranowska, M.; Mardarowicz, M.; Wiwart, M.; Poblocka, L.; Dynowska, M.,
Antifungal activity of the essential oils from some species of the genus Pinus,
Z. Naturforsch., 2002, 57c, 478-482. [all data]
Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G.,
Volatile components from Cephalotaxus griffithii growing in northern Thailand,
Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064
. [all data]
Sefidkon, Dabiri, et al., 1999
Sefidkon, F.; Dabiri, M.; Rahimi-Bidgoly, A.,
The effect of distillation methods and stage of plant growth on the essential oil content and composition of Thymus kotschyanus Boiss. Hohen,
Flavour Fragr. J., 1999, 14, 6, 405-408, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<405::AID-FFJ853>3.0.CO;2-M
. [all data]
Sefidkon and Khajavi, 1999
Sefidkon, F.; Khajavi, M.S.,
Chemical composition of the essential oils of two Salvia species from Iran: Salvia verticillata L. and Salvia santolinifolia Boiss.,
Flavour Fragr. J., 1999, 14, 2, 77-78, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<77::AID-FFJ726>3.0.CO;2-9
. [all data]
Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U
. [all data]
Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N.,
Analysis of volatile sesquiterpenoids in environmental and geological samples,
J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [all data]
Wu, Zhao, et al., 1987
Wu, C.; Zhao, D.; Sun, S.; Ma, Y.; Wang, Q.; Lu, S.,
The minor chemical components of the absolute oil from the flower,
Acta botanica Sinica, 1987, 29, 6, 636-642. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.