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 InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15+/m1/s1
- 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, 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 | HP-5 | DB-5 | Methylsiloxane + 5 % Ph-groups | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.252 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 240. | 240. | 230. | 240. | 250. |
| Heat rate (K/min) | 3. | 3. | 7. | 3. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | ||||
| I | 1541. | 1538. | 1527. | 1535. | 1539. |
| Reference | Kahriman, Tosun, et al., 2011 | Karimi, Farmani, et al., 2011 | Nadim, Malik, et al., 2011 | Cavar, Maksimovic, et al., 2010 | Ho, Wang, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 MS | HP-5 MS | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Hydrogen | 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) | 50. | 100. | 70. | 70. | 60. |
| Tend (C) | 240. | 220. | 290. | 290. | 240. |
| Heat rate (K/min) | 3. | 2. | 5. | 5. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 10. | ||||
| I | 1535. | 1533. | 1544. | 1546. | 1539. |
| Reference | Monsef-Esfahani, Miri, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Scherer, Wagner, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | DB-1-MS | DB-5 | SE-54 | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | 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 | 0.25 |
| Tstart (C) | 60. | 30. | 40. | 60. | 50. |
| Tend (C) | 240. | 200. | 250. | 260. | 250. |
| Heat rate (K/min) | 3. | 2. | 10. | 2. | 5. |
| Initial hold (min) | 4. | 1. | 5. | 2. | |
| Final hold (min) | 35. | 3. | 999. | ||
| I | 1536. | 1522. | 1539. | 1531. | 1539. |
| Reference | Silva, Pott, et al., 2010 | Takeoka, Hobbs, et al., 2010 | Yang, Zhang, et al., 2010 | Dayisoylu and Alma, 2009 | Ho, Wang, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 MS | DB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 250. | 240. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 2. | |
| Final hold (min) | 2. | |
| I | 1542. | 1538. |
| Reference | Su, Wang, et al., 2009 | Tellez, Estell, et al., 1997 |
| Comment | MSDC-RI | 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.
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]
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]
Nadim, Malik, et al., 2011
Nadim, M.M.; Malik, A.A.; Ahmad, J.; Bakshi, S.K.,
The essential oil composition of Achillea millefolium L. cultivated under tropical conditions in India,
World J. Agricultural Sci., 2011, 7, 5, 561-565. [all data]
Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E.,
Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]
Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y.,
Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498
. [all data]
Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P
. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [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]
Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R.,
Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction,
J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400
. [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]
Yang, Zhang, et al., 2010
Yang, X.; Zhang, H.; Zhang, Y.; Zhao, H.; Dong, A.; Xu, L.; Yang, L.; Ma, Y.; Wang, J.,
Analysis if the essential oils of pine cones of Pinus koraiensis Steb. et Zucc. and P. sylvestris L. from China,
J. Essen. Oil Res., 2010, 22, 5, 446-448, https://doi.org/10.1080/10412905.2010.9700368
. [all data]
Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H.,
Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]
Ho, Wang, et al., 2009
Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C.,
Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta,
Journal title only in Chinese, 2009, 31, 2, 77-96. [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]
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]
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
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