Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1α,4aβ,8aα)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: WRHGORWNJGOVQY-RBSFLKMASA-N
- CAS Registry Number: 39029-41-9
- 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: γ-Cadinene; 1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene)-, (1R,4aS,8aS)-rel-; (1R,4aS,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene; (1S-(1α,4α,4α,6α,8β))-decahydro-4-isopropyl-1,6-dimethyl-naphthalene (γ-cadinene)
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Kovats' 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 | DB-5 | HP-5MS | HP-5MS | DB-5MS | HP-1 |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 246. | 280. | 250. | 280. | 200. |
Heat rate (K/min) | 3. | 2. | 3. | 3. | 4. |
Initial hold (min) | 8. | 1. | 5. | ||
Final hold (min) | 30. | 20. | 30. | 25. | |
I | 1513. | 1511. | 1534. | 1480. | 1514. |
Reference | Adams, González Elizondo, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Jalali-Heravi, Zekavat, et al., 2006 | Marongiu, Porcedda, et al., 2006 | Meccia G., Rosquete C., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | BP-1 | DB-5 | DB-5 | HP-5MS |
Column length (m) | 25. | 25. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.26 | 0.26 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 50. |
Tend (C) | 220. | 220. | 246. | 246. | 250. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
Initial hold (min) | 3. | 10. | |||
Final hold (min) | 13. | 5. | |||
I | 1517. | 1512. | 1514. | 1513. | 1512. |
Reference | Mevy, Bessiere, et al., 2006 | Raina, Verma, et al., 2006 | Adams, Morris, et al., 2005 | Adams and Nguyen, 2005 | Asuming, Beauchamp, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-5MS | CP Sil 8 CB | DB-1 | DB-5 |
Column length (m) | 25. | 30. | 30. | 50. | 25. |
Carrier gas | H2 | He | H2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 60. | 50. | 95. | 40. |
Tend (C) | 230. | 240. | 220. | 240. | 280. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 3. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 5. | ||||
I | 1513. | 1513. | 1515. | 1507. | 1512. |
Reference | Ogunwande, Olawore, et al., 2004 | Palmeira, Moura, et al., 2004 | Schwob, Bessiere, et al., 2004 | Velasco-Negueruela, Sanz, et al., 2004 | Amparo Blázquez, Pérez, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-5MS | HP-5MS | DB-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 60. | 60. | 60. |
Tend (C) | 280. | 280. | 280. | 280. | |
Heat rate (K/min) | 5. | 4. | 3. | 3. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 10. | 10. | |||
I | 1530. | 1524. | 1493. | 1491. | 1514. |
Reference | Baranauskiene, Venskutonis, et al., 2003 | Baranauskiene, Venskutonis, et al., 2003, 2 | Couladis, Chinou, et al., 2003 | Gkinis, Tzakou, et al., 2003 | Lucero, Estell, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP Sil 5 CB | CP Sil 5 CB | HP-5 | DB-5 |
Column length (m) | 30. | 25. | 25. | 30. | 30. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 0.15 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 50. | 60. | 50. |
Tend (C) | 240. | 230. | 230. | 280. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 0.5 |
Initial hold (min) | 5. | ||||
Final hold (min) | 30. | 10. | |||
I | 1496. | 1506. | 1506. | 1502. | 1512. |
Reference | Marongiu, Piras, et al., 2003 | Ogunwande, Olawore, et al., 2003 | Ogunwande, Olawore, et al., 2003, 2 | Özcan, Tzakou, et al., 2003 | Viña and Murillo, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-1 | HP-5 | BP-1 | BP-1 |
Column length (m) | 25. | 30. | 30. | 60. | 25. |
Carrier gas | He | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 225. | 200. | 220. | 220. |
Heat rate (K/min) | 3. | 2. | 4. | 5. | 5. |
Initial hold (min) | 2. | 1. | |||
Final hold (min) | 5. | 15. | 15. | ||
I | 1500. | 1487. | 1515. | 1510. | 1516. |
Reference | El-Ghorab, Fadel, et al., 2002 | Jayaprakasha, Rao, et al., 2002 | Juliani and Simon, 2002 | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Cross-Linked Methylsilicone | HP-5MS | HP-5 | PTE-5 | PTE-5 |
Column length (m) | 50. | 30. | 50. | 60. | 60. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 | 0.39 |
Tstart (C) | 100. | 50. | 50. | 60. | 60. |
Tend (C) | 280. | 250. | 250. | 285. | 285. |
Heat rate (K/min) | 4. | 3. | 2.5 | 4.3 | 4.3 |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 1512. | 1513. | 1511. | 1515. | 1518. |
Reference | Rajeswara Rao, Kaul, et al., 2002 | Salido, Altarejos, et al., 2002 | Yáñez, Pinzón, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Gudzic, Dordevic, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | HP-1 | DB-1 | DB-1 | SE-54 |
Column length (m) | 25. | 50. | 30. | 30. | 30. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.55 | 0.25 | 0.25 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 100. | 40. | 80. | 60. |
Tend (C) | 220. | 250. | 260. | 225. | 246. |
Heat rate (K/min) | 5. | 5. | 2. | 4. | 3. |
Initial hold (min) | 7. | 5. | |||
Final hold (min) | 15. | 20. | |||
I | 1510. | 1519. | 1494. | 1493. | 1513. |
Reference | Jain, Aggarwal, et al., 2001 | Raina, Srivastava, et al., 2001 | Senatore and Rigano, 2001 | Abella, Cortella, et al., 2000 | Adams, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | DB-5 | SE-30 | DB-5 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 70. | 60. |
Tend (C) | 240. | 246. | 246. | 220. | 180. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 2. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1513. | 1513. | 1513. | 1503. | 1512. |
Reference | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 2000, 4 | Kardali, Velasco-Negueruela, et al., 2000 | Rao, Rout, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | DB-5 | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 70. | 40. |
Tend (C) | 280. | 246. | 260. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 2. | 3. | 2. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 20. | 20. | |||
I | 1513. | 1513. | 1530. | 1507. | 1531. |
Reference | Roussis, Tsoukatou, et al., 2000 | Adams, 1999 | Senatore and de Feo, 1999 | Siani, Ramos, et al., 1999 | de Feo, Porta, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | SPB-1 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.23 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 50. | 60. | 40. | 60. |
Tend (C) | 250. | 200. | 250. | 250. | 240. |
Heat rate (K/min) | 2. | 3. | 5. | 2. | 3. |
Initial hold (min) | 5. | 2. | 5. | ||
Final hold (min) | 20. | 5. | 20. | ||
I | 1501. | 1512. | 1508. | 1509. | 1513. |
Reference | Senatore, Urrunaga Soria, et al., 1998 | Fiorini, Fourasté, et al., 1997 | Jayaprakasha, Jaganmohan Rao, et al., 1997 | Senatore, Urrunaga Soria, et al., 1997 | Tellez, Estell, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | OV-101 |
Column length (m) | 30. | 30. | 30. | 100. |
Carrier gas | H2 | |||
Substrate | ||||
Column diameter (mm) | 0.3 | |||
Phase thickness (μm) | 0.15 | |||
Tstart (C) | 40. | 40. | 40. | 90. |
Tend (C) | 210. | 210. | 210. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. |
Initial hold (min) | 2. | 2. | 2. | |
Final hold (min) | 120. | 120. | 120. | |
I | 1508. | 1515. | 1515. | 1497. |
Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Gaydou, Randriamiharisoa, et al., 1986 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, González Elizondo, et al., 2006
Adams, R.P.; González Elizondo, M.S.; González Elizondo, M.; Slinkman, E.,
DNA fingerprinting and terpenoid analysis of Juniperus blancoi var. huehuentensis (Cupressaceae), a new subalpine variety from Durango, Mexico,
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Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
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Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
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Marongiu, Porcedda, et al., 2006
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Extraction of Juniperus communis L. ssp. nana Willd. essential oil by supercritical carbon dioxide,
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New labdane derivative from the essential oil of Acalypha plicata Mull.Arg.,
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Composition and antimicrobial activities of the essential oil of Triumfetta rhomboidea Jacq.,
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Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
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Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
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Palmeira, S.F., Jr.; Moura, F.S.; Alves, V.L.; de Oliveira, F.M.; Bento, E.S.; Conserva, L.M.; Andrade, E.H.A.,
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Gkinis, G.; Tzakou, O.; Iliopoulou, D.; Roussis, V.,
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Ogunwande, Olawore, et al., 2003
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Chemical composition of the leaf volatile oil of Psidium guajava L. growing in Nigeria,
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Ogunwande, Olawore, et al., 2003, 2
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Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria,
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Özcan, Tzakou, et al., 2003
Özcan, M.; Tzakou, O.; Couladis, M.,
Essential oil composition of Turkish herbal tea (Salvia aucheri Bentham var. canescens Boiss. Heldr.),
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Viña and Murillo, 2003
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Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
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The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity,
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Jayaprakasha, G.K.; Rao, L.J.; Sakariah, K.K.,
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Notes
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