Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1α,3aβ,4α,7β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: DUYRYUZIBGFLDD-UHFFFAOYSA-N
- CAS Registry Number: 22567-17-5
- 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: 1β,4βH,10βH-Guaia-5,11-diene; γ-Gurjunene; 7-Isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene; 1α,3aβ,4α,7β-Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl); [1R-(1α,3aβ,4α,7β)]-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene
- 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 | DB-5 | HP-5 | HP-5 MS | DB-5 | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Nitrogen | 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. | 50. | 100. | 40. | 70. |
Tend (C) | 250. | 240. | 220. | 230. | 210. |
Heat rate (K/min) | 2. | 3. | 2. | 2. | 5. |
Initial hold (min) | 5. | 1. | |||
Final hold (min) | 5. | ||||
I | 1477. | 1459. | 1471. | 1477. | 1479. |
Reference | Ho, Wang, et al., 2010 | Monsef-Esfahani, Miri, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Scrivanti, Anton, et al., 2009 | Bouwmeester, de Kraker, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 MS | HP-5 | Col-Elite 5MS | HP-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Tstart (C) | 100. | 50. | 60. | 30. | 60. |
Tend (C) | 240. | 300. | 250. | 246. | 240. |
Heat rate (K/min) | 5. | 5. | 5. | 3. | 2. |
Initial hold (min) | 2. | 5. | 30. | ||
Final hold (min) | 5. | 5. | 20. | ||
I | 1473. | 1468. | 1473. | 1487. | 1468. |
Reference | Lago, Romoff, et al., 2008 | Noudogbessi, Yedomonhan, et al., 2008 | Yassa and Akhani, 2008 | Gudaityte and Venskutonis R.P., 2007 | Hachicha, Skanji, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 | HP-5MS | HP-5 | HP-5MS |
Column length (m) | 60. | 30. | 30. | 25. | 30. |
Carrier gas | Hydrogen | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 50. | 60. |
Tend (C) | 260. | 250. | 260. | 300. | 280. |
Heat rate (K/min) | 4. | 5. | 4. | 5. | 4. |
Initial hold (min) | 30. | 5. | |||
Final hold (min) | 20. | ||||
I | 1475. | 1473. | 1472.2 | 1472. | 1471. |
Reference | Rojas, Velasco, et al., 2007 | Yassa and Akhani, 2007 | Zizovic, Stamenic, et al., 2007 | Champagnat, Figueredo, et al., 2006 | Ebrahim Sajjadi and Mehregan, 2006 |
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 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | He | |
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. | 40. | 50. | 60. | 60. |
Tend (C) | 250. | 220. | 200. | 220. | 210. |
Heat rate (K/min) | 3. | 3. | 5. | 4. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | 3. | |||
I | 1473. | 1477. | 1468. | 1478. | 1471. |
Reference | Havlik, Kokoska, et al., 2006 | Hymete, Rohloff, et al., 2006 | Martin, Joseph, et al., 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Askari and Sefidkon, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | CP Sil 5 CB | DB-1 | DB-5 | CP Sil 5 CB |
Column length (m) | 30. | 30. | 60. | 30. | 25. |
Carrier gas | He | N2 | He | He | |
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 | 0.15 |
Tstart (C) | 50. | 60. | 50. | 60. | 50. |
Tend (C) | 300. | 250. | 250. | 220. | 230. |
Heat rate (K/min) | 5. | 5. | 4. | 4. | 3. |
Initial hold (min) | 5. | 5. | 4. | ||
Final hold (min) | 5. | 10. | |||
I | 1459. | 1484. | 1472. | 1479. | 1471. |
Reference | Figuérédo, Cabassu, et al., 2005 | Jassbi, Mehrdad, et al., 2005 | Khajeh, Yamini, et al., 2005 | Morteza-Semnani and Saeedi, 2005 | Ogunwande, Olawore, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 | RTX-1 | DB-1 |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | N2 | He | He | He | He |
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) | 95. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 300. | 300. | 25. | 250. |
Heat rate (K/min) | 4. | 3. | 3. | 5. | 5. |
Initial hold (min) | |||||
Final hold (min) | 10. | 10. | |||
I | 1463. | 1470. | 1470. | 1454. | 1446. |
Reference | Pala-Paul, Perez-Alonso, et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Sonboli, Salehi, et al., 2005 | Sonboli, Salehi, et al., 2005, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | ZB-5 | RTX-1 | DB-5MS | HP-5MS |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 60. | 60. |
Tend (C) | 260. | 260. | 300. | 280. | 275. |
Heat rate (K/min) | 3. | 6. | 4. | 3. | 4. |
Initial hold (min) | 4.6 | ||||
Final hold (min) | 20. | 1. | 30. | ||
I | 1472. | 1491. | 1461. | 1454. | 1473. |
Reference | Topçu, Barla, et al., 2005 | Jürgens and Dötterl, 2004 | Kalemba and Thiem, 2004 | Marongiu, Piras, et al., 2004 | Afsharypuor and Jahromy, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5 | DB-1 | DB-1 |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 60. | 60. | 50. | 40. |
Tend (C) | 220. | 250. | 280. | 280. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
Initial hold (min) | 2. | ||||
Final hold (min) | 10. | ||||
I | 1477. | 1470. | 1451. | 1454. | 1451. |
Reference | Juteau, Jerkovic, et al., 2003 | Limberger, Simões-Pires, et al., 2003 | Pitarokili, Tzakou, et al., 2003 | Ahmadi, Mirza, et al., 2002 | Sefidkon, Dabiri, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-1 | DB-5 | DB-1 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 25. | 60. |
Carrier gas | N2 | He | He | Nitrogen | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.50 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 75. |
Tend (C) | 300. | 270. | 240. | 220. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 5. | 4. |
Initial hold (min) | 1. | ||||
Final hold (min) | 8. | ||||
I | 1471. | 1472. | 1475.0 | 1473. | 1487. |
Reference | Kalemba, Marschall, et al., 2001 | Palmeira, Conserva, et al., 2001 | Santos, Moreira, et al., 2001 | Mallavarapu, Rao, et al., 2000 | Bailac, Dellacasa, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-1 | SE-54 |
Column length (m) | 30. | 30. | 30. | |
Carrier gas | He | He | Hydrogen | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 65. | 80. | 60. |
Tend (C) | 250. | 300. | 220. | 250. |
Heat rate (K/min) | 2. | 4. | 6. | 2. |
Initial hold (min) | 5. | 2. | 5. | |
Final hold (min) | 60. | 2. | ||
I | 1471. | 1479. | 1474. | 1465. |
Reference | Porta, Porcedda, et al., 1999 | Elias, Simoneit, et al., 1997 | Salgueiro, Vila, et al., 1997 | Kollmannsberger, Nitz, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | 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.
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,
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Monsef-Esfahani, Miri, et al., 2010
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Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
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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,
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Lago, Romoff, et al., 2008
Lago, J.H.G.; Romoff, P.; Favero, O.A.; Souza, F.O.; Soares, M.G.; Baraldi, P.T.; Correa, A.G.,
Chemical composition of male and female Baccharis trimera (Less.) DC. (Asteraceae) essential oils,
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Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G.,
Chemical composition of essential oil of syzygium guineense (Willd.) DC. var. guineense (Myrtaceae) from Benin,
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Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
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,
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Hachicha, Skanji, et al., 2007
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Yassa, N.; Akhani, H.,
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Champagnat, Figueredo, et al., 2006
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Havlik, Kokoska, et al., 2006
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Hymete, Rohloff, et al., 2006
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Martin, Joseph, et al., 2006
Martin, M.A.C.K.; Joseph, H.; Bercion, S.; Menut, C.,
Chemical composition of essential oils from aerial parts of Aframomum exscapum (Sims) Hepper collected in Guadeloupe, French West Indies,
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Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
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Askari and Sefidkon, 2005
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Figuérédo, Cabassu, et al., 2005
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Jassbi, A.R.; Mehrdad, M.; Soleimani, M.; Mirzaeian, M.; Sonboli, A.,
Chemical composition of the essential oils of Bunium elegans and Bunium caroides,
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Khajeh, Yamini, et al., 2005
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Comparison of essential oils compositions of Ferula assa-foetida obtained by supercritical carbon dioxide extraction and hydrodistillation methods,
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Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Phlomis bruguieri Desf. from Iran,
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Ogunwande, Olawore, et al., 2005
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.,
Volatile constituents from the leaves of Eucalyptus cloeziana F. Muell and E. propinqua Deane Maiden from Nigeria,
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Pala-Paul, Perez-Alonso, et al., 2005
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Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
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Simoes-Pires C.A., Debenedetti S., et al., 2005
Simoes-Pires C.A.; Debenedetti S.; Spegazzini E.; Mentz L.A.; Matzenbacher N.I.; Limberger R.P.; Henriques A.T.,
Investigation of the essential oil from eight species of Baccharis belonging to sect. Caulopterae (Asteraceae, Astereae): a taxonomic approach,
Plant Systematics and Evolution, 2005, 253, 1-4, 23-32, https://doi.org/10.1007/s00606-005-0296-6
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Sonboli, Salehi, et al., 2005
Sonboli, A.; Salehi, P.; Ebrahimi, S.N.,
Essential oil composition and antibacterial activity of the leaves of Stachys schtschegleevii from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 2, 171-175, https://doi.org/10.1007/s10600-005-0105-z
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Sonboli, Salehi, et al., 2005, 2
Sonboli, A.; Salehi, P.; Allahyari, L.,
Essential oil composition of Nepeta involucrata from Iran,
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Topçu, Barla, et al., 2005
Topçu, G.; Barla, A.; Gören, A.C.; Bilsel, G.; Bilsel, M.; Tümen, G.,
Analysis of the essential oil composition of Sideritis albiflora using direct thermal desorption and headspace GC-MS techniques,
Turk. J. Chem., 2005, 29, 525-529. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
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Kalemba and Thiem, 2004
Kalemba, D.; Thiem, B.,
Constituents of the essential oils of four micropropagated Solidago species,
Flavour Fragr. J., 2004, 19, 1, 40-43, https://doi.org/10.1002/ffj.1271
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Marongiu, Piras, et al., 2004
Marongiu, B.; Piras, A.; Porcedda, S.,
Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) maton,
J. Agric. Food Chem., 2004, 52, 20, 6278-6282, https://doi.org/10.1021/jf034819i
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Afsharypuor and Jahromy, 2003
Afsharypuor, S.; Jahromy, M.M.,
Constituents of the essential oil from Tanacetum lingulatum (Boiss.) Bornm.,
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Juteau, Jerkovic, et al., 2003
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. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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