β-Guaiene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: GIBQERSGRNPMEH-VXGBXAGGSA-N
- CAS Registry Number: 88-84-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-; Guaia-1(5),7(11)-diene; Guaiene; 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene; 1,4-Dimethyl-7-(1-methylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene, (1S,cis)-; β-cis-Guaiene; beta-Guaiene; cis-β-Guaiene; (E)-β-Guaiene; β-guainene; cis-β-Guainene; (1S-cis)-1,2,3,4,5,6,7,8-octahydro-7-isopropylidene-1,4-dimethylazulene
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Normal alkane RI, non-polar column, custom temperature program
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 | DB-5 | DB-5 | CP Sil 8 CB | DB-1 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | Helium | Helium | Nitrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) | not specified | not specified | 60C => 2.5C/min => 170C => 10C/min => 250C (5min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) |
I | 1495. | 1490. | 1483. | 1490. | 1478. |
Reference | Nezhadali and Parsa, 2010 | Scherer, Wagner, et al., 2010 | Chieng, Assim, et al., 2008 | Kristiawan, Sobolik, et al., 2008 | Nogueira, Marcelo-Curto, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | CP Sil 8 CB | HP-5 MS | Methyl Silicone | OV-1 |
Column length (m) | 30. | 50. | 30. | ||
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | not specified | not specified | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
I | 1491. | 1493. | 1491. | 1488. | 1478. |
Reference | Cole, Haber, et al., 2007 | Radusiene, Judzentiene, et al., 2007 | Stokes, Cole, et al., 2007 | Couladis, Özcan, et al., 2004 | Hafez and Abdel-Salam, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | CP Sil 8 CB | DB-1 | SE-30 | CP Sil 5 CB |
Column length (m) | 50. | 50. | 30. | 30. | 25. |
Carrier gas | He | He | Helium | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.1 | 0.20 | ||
Program | 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | 35C => 4C/min => 180C => 10C/min => 250C | not specified | not specified |
I | 1490. | 1490. | 1504. | 1482. | 1476. |
Reference | Mockute, Bernotiene, et al., 2003 | Mockute, Nivinskiene, et al., 2003 | Bezerra, Andrade-Neto, et al., 2002 | Prikhod'ko, Klyuev, et al., 1999 | Phan, Van, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [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]
Chieng, Assim, et al., 2008
Chieng, T.C.; Assim, Z.B.; Fasihuddin, B.A.,
Toxicity and antitermite activities of the essential oils from Piper sarmentosum,
The Malaysian J. Anal. Sci., 2008, 12, 1, 234-239. [all data]
Kristiawan, Sobolik, et al., 2008
Kristiawan, M.; Sobolik, V.; Al-Haddad, M.; Allaf, K.,
Effect of pressure-drop rate on the isolation of cananga oil using instantaneous controlled pressure-drop process,
Chem. Eng. Processing, 2008, 47, 1, 66-75, https://doi.org/10.1016/j.cep.2007.08.011
. [all data]
Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C.,
Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum,
Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
. [all data]
Stokes, Cole, et al., 2007
Stokes, S.L.; Cole, R.A.; Rangelova, M.P.; Haber, W.A.; Setzer, W.N.,
Cruzain inhibitory activity of the leaf essential oil from an undescribed species of Eugenia from Monteverde, Costa Rica,
Natural Product Communications, 2007, 2, 12, 1211-1213. [all data]
Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
Mockute, Bernotiene, et al., 2003
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
Volatile compounds of the aerial parts of wild St. John's wort (Hypericum perforatum L.) plants,
Chemija, 2003, 14, 3, 108-111. [all data]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [all data]
Bezerra, Andrade-Neto, et al., 2002
Bezerra, M.Z.B.; Andrade-Neto, M.; de Freitas, R.M.,
The essential oil of Porophyllum ruderale Cass (Asteraceae),
J. Essent. Oil Res., 2002, 14, 1, 14-15, https://doi.org/10.1080/10412905.2002.9699746
. [all data]
Prikhod'ko, Klyuev, et al., 1999
Prikhod'ko, A.B.; Klyuev, N.A.; Volkovich, S.V.; Emets, T.I.; Petrenko, V.V.; Dolya, E.V.,
Component composition od the essential oil of Thymus dimorphus,
Chem. Nat. Comp., 1999, 35, 1, 46-51, https://doi.org/10.1007/BF02238208
. [all data]
Phan, Van, et al., 1998
Phan, M.G.; Van, N.H.; Phan, T.S.,
Sesquiterpenoids fron the rhizomes of Curcuma aff. aeruginosa Roxb. of Vietnam,
Tap chi Hoa hoc, 1998, 36, 3, 67-72. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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