1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1α,3aα,7α,8aβ)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3
- IUPAC Standard InChIKey: KVQOADNSNSUAJT-UHFFFAOYSA-N
- CAS Registry Number: 560-32-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-3a,7-Methanoazulene, 2,3,6,7,8,8aα-hexahydro-1β,4,9,9-tetramethyl-; (1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene; α-Patchoulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel-; 1α,3aα,7α,8aβ-1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1456. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
| Capillary | BP-1 | 1456. | Raina, Srivastava, et al., 2002 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | DB-1 | 1444. | Palá-Paúl, Velasco-Negueruela, et al., 2001 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | DB-5 | 1464. | de Feo, Porta, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | OV-1 | 1445. | Afsharypuor, Asgary, et al., 1996 | 30. m/0.31 mm/3. μm, He, 10. K/min; Tstart: 70. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1462. | Dehghan, Solaimanian, et al., 2007 | 25. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min; Tend: 240. C |
| Capillary | HP-5MS | 1457. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1457. | Yu, Liao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C |
| Capillary | HP-5MS | 1456. | Vujisic L., Vuckovic I., et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C |
| Capillary | DB-1 | 1464. | de Feo, Urrunaga Soria, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | DB-5 | 1450. | Reis, Pansarim, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 290. C |
| Capillary | HP-5 | 1456. | Bougatsos, Meyer, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1450. | Kovacevic, Pavlovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1445. | Sardashti, Valizadeh, et al., 2013 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1461. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
| Capillary | Col-Elite 5MS | 1486. | Gudaityte and Venskutonis R.P., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 30. C; Tend: 246. C |
| Capillary | HP-5 | 1462. | Figuérédo, Cabassu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min |
| Capillary | DB-5 | 1460. | Mirza, Navaei, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1452. | Duarte, Figueira, et al., 2005 | 25. m/0.2 mm/0.33 μm, He, 3. K/min, 240. C @ 7. min; Tstart: 60. C |
| Capillary | DB-1 | 1443. | Pala-Paul, Perez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | BP-1 | 1486. | Das, Ram, et al., 2002 | 25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | HP-5 | 1457. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | HP-5 | 1463. | Novak, Novak, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1464. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-20M Innowax | 1640. | Wang, Tian, et al., 2013 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) |
| Capillary | Innowax FSC | 1658. | Bardakci, Demirci, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
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Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2
. [all data]
de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Composition of the essential oil of Tagetes filifolia Lag.,
Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q
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Afsharypuor, Asgary, et al., 1996
Afsharypuor, S.; Asgary, S.; Lockwood, G.B.,
Volatile constituents of Achillea millefolium L. ssp. millefolium from Iran,
Flavour Fragr. J., 1996, 11, 5, 265-267, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<265::AID-FFJ592>3.0.CO;2-F
. [all data]
Dehghan, Solaimanian, et al., 2007
Dehghan, G.; Solaimanian, R.; Shahverdi, A.R.; Amin, G.; Abdollahi, M.; Shafiee, A.,
Chemical composition and antimicrobial activity of essential oil of Ferula szovitsiana D.C.,
Flavour Fragr. J., 2007, 22, 3, 224-227, https://doi.org/10.1002/ffj.1789
. [all data]
Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009
. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
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Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S.,
Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia,
Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681
. [all data]
de Feo, Urrunaga Soria, et al., 2005
de Feo, V.; Urrunaga Soria, E.; Urrunaga Soria, R.; Pizza, C.,
Composition and in vitro toxicity of the essential oil of Tagetes terniflora HBK. (Asteraceae),
Flavour Fragr. J., 2005, 20, 1, 89-92, https://doi.org/10.1002/ffj.1379
. [all data]
Reis, Pansarim, et al., 2004
Reis, M.G.; Pansarim, E.R.; da Silva, U.F.; Estanislau do Amaral, M.C.; Marsaioli, A.J.,
Pollinator attraction devices (floral fragrances) of some Brazilian orchids,
Arkivoc, 2004, 6, 89-97. [all data]
Bougatsos, Meyer, et al., 2003
Bougatsos, C.; Meyer, J.J.M.; Magiatis, P.; Vagias, C.; Chinou, I.B.,
Composition and antimicrobial activity of the essential oils of Helichrysum kraussii Sch. Bip. and H. rugulosum Less. from south Africa,
Flavour Fragr. J., 2003, 18, 1, 48-51, https://doi.org/10.1002/ffj.1152
. [all data]
Kovacevic, Pavlovic, et al., 2002
Kovacevic, N.; Pavlovic, M.; Menkovic, N.; Tzakou, O.; Couladis, M.,
Composition of the essential oil from roots and rhizomes of Valeriana pancicii Halácsy Bald,
Flavour Fragr. J., 2002, 17, 5, 355-357, https://doi.org/10.1002/ffj.1100
. [all data]
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
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Gudaityte and Venskutonis R.P., 2007
Gudaityte, O.; Venskutonis R.P.,
Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
Biochem. Syst. Ecol., 2007, 35, 9, 582-592, https://doi.org/10.1016/j.bse.2007.03.016
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Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
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Mirza, Navaei, et al., 2006
Mirza, M.; Navaei, M.N.; Dini, M.,
Volatile constituents of essential oils isolated from flowers and leaves of Eupatorium cannabinum L. from Iran,
Iranian J. Pharmaceutical Res., 2006, 2, 149-152. [all data]
Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
J. Ethnopharmacol., 2005, 97, 2, 305-311, https://doi.org/10.1016/j.jep.2004.11.016
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Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
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Das, Ram, et al., 2002
Das, M.; Ram, G.; Singh, A.; Mallavarapu, G.R.; Ramesh, S.; Ram, M.; Kumar, S.,
Volatile constituents of different plant parts of Chamomilla recutita L. Rausch grown in the Indo-Gangetic plains,
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Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
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Novak, Novak, et al., 2000
Novak, J.; Novak, S.; Bitsch, C.; Franz, C.M.,
Essential oil composition of underground parts of Valeriana celtica ssp. from Austria and Italy,
Flavour Fragr. J., 2000, 15, 1, 40-42, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<40::AID-FFJ863>3.0.CO;2-B
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Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
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Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C.,
Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia,
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Notes
Go To: Top, Gas Chromatography, References
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