1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1aα,4α,4aβ,7bα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3
- IUPAC Standard InChIKey: SPCXZDDGSGTVAW-UHFFFAOYSA-N
- CAS Registry Number: 489-40-7
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 1H-Cycloprop[e]azulene, 1aβ,2,3,4,4aα,5,6,7bβ-octahydro-1,1,4β,7-tetramethyl-; α-Gurjunene; (-)-α-Gurjunene; 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aα,4α,4aβ,7bα)-; α-Gurgujene; α-Gurjenene; α-gurjinene; [1aR-(1aα,4α,4aβ,7bα)]-1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
- Information on this page:
- Other data available:
- Options:
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 | HP-5MS | BP-1 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 25. | 30. | 50. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 50. | 60. |
| Tend (C) | 280. | 220. | 230. | 280. | |
| Heat rate (K/min) | 2. | 5. | 8. | 5. | 3. |
| Initial hold (min) | 8. | 2. | |||
| Final hold (min) | 30. | 13. | 4. | 10. | |
| I | 1408. | 1410. | 1434.2 | 1419. | 1410. |
| Reference | Hazzit, Baaliouamer, et al., 2006 | Raina, Verma, et al., 2006 | Ament K., Kant M.R., et al., 2004 | Baranauskiene, Venskutonis, 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 | BP-1 | PTE-5 | HP-5 | HP-5MS |
| Column length (m) | 25. | 60. | 60. | 30. | 30. |
| Carrier gas | He | N2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.39 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 70. |
| Tend (C) | 240. | 220. | 285. | 280. | 250. |
| Heat rate (K/min) | 3. | 5. | 4.3 | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1411. | 1406. | 1411. | 1408. | 1401. |
| Reference | El-Ghorab, Fadel, et al., 2002 | Raina, Lal, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Tzakou and Couladis, 2001 | Siani, Ramos, 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 | BPX-5 | SE-30 | DB-5 | DB-5 |
| Column length (m) | 30. | 50. | 25. | 30. | 30. |
| Carrier gas | He | N2 | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.2 | ||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 40. | 60. | 60. | 40. | 40. |
| Tend (C) | 250. | 185. | 180. | 210. | 210. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 5. | 10. | 10. | 2. | 2. |
| Final hold (min) | 20. | 1. | 120. | 120. | |
| I | 1382. | 1409. | 1398. | 1403. | 1402. |
| Reference | Senatore, Urrunaga Soria, et al., 1998 | Fournier, Hadjiakhoondi, et al., 1997 | Jantan, Ali, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | BP-1 | BP-1 |
| Column length (m) | 30. | 50. | 50. |
| Carrier gas | He | H2 | |
| Substrate | |||
| Column diameter (mm) | 0.33 | ||
| Phase thickness (μm) | |||
| Tstart (C) | 40. | -100. | 65. |
| Tend (C) | 210. | 200. | 220. |
| Heat rate (K/min) | 2. | 2. | 5. |
| Initial hold (min) | 2. | 2. | |
| Final hold (min) | 120. | ||
| I | 1402. | 1404. | 1426. |
| Reference | Loayza, Abujder, et al., 1995 | Bartley, 1988 | Ekundayo, Laakso, et al., 1988 |
| Comment | 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.
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,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [all data]
Ament K., Kant M.R., et al., 2004
Ament K.; Kant M.R.; Sabelis M.W.; Haring M.A.; Schuurink R.C.,
Differential timing of spider mite-induced direct and indirect defenses in tomato plants,
Plant Physiol., 2004, 135, 1, 483-495, https://doi.org/10.1104/pp.103.038315
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b
. [all data]
Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L.,
The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb.,
J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083
. [all data]
El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F.,
The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity,
Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085
. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
Senatore, Urrunaga Soria, et al., 1998
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; de Feo, V.,
Essential oil from two peruvian Satureja species,
Flavour Fragr. J., 1998, 13, 1, 1-4, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<1::AID-FFJ672>3.0.CO;2-4
. [all data]
Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B.,
Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z
. [all data]
Jantan, Ali, et al., 1995
Jantan, I.; Ali, N.A.M.; Ahmad, A.S.; Ahmad, A.R.,
Constituents of the essential oil of Leptospermum javanicum blume from peninsular Malaysia,
Flavour Fragr. J., 1995, 10, 4, 255-258, https://doi.org/10.1002/ffj.2730100406
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Bartley, 1988
Bartley, J.P.,
Volatile flavours of Australian tropical fruits,
Biomed. Environ. Mass Spectrom., 1988, 16, 1-12, 201-205, https://doi.org/10.1002/bms.1200160136
. [all data]
Ekundayo, Laakso, et al., 1988
Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R.,
Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries),
J. Agric. Food Chem., 1988, 36, 5, 880-882, https://doi.org/10.1021/jf00083a001
. [all data]
Notes
Go To: Top, Kovats' 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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