Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3
- IUPAC Standard InChIKey: IECBDTGWSQNQID-UHFFFAOYSA-N
- CAS Registry Number: 473-06-3
- 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. - Other names: Chrysanthenone; 2-Pinen-7-one; 2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-one; Isochrysanthenone; Chrysantenone; cis-Chrysanthenone; Crysanthenone
- 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 | HP-5 MS | HP-5 MS | ZB-5 | ZB-5 | ZB-5 MS |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | 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) | 40. | 35. | 40. | 40. | 60. |
| Tend (C) | 250. | 250. | 200. | 200. | 290. |
| Heat rate (K/min) | 3. | 5. | 5. | 5. | 5. |
| Initial hold (min) | 1. | 3. | 5. | 5. | |
| Final hold (min) | 20. | 10. | 5. | ||
| I | 1123. | 1158. | 1119. | 1120. | 1122. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Kadri, Zarai, et al., 2011 | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Boix, Victorio, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-5 MS | HP-5MS | RTX-1 | RTX-1 | DB-5 |
| Column length (m) | 30. | 30. | 60. | 60. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.22 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 290. | 250. | 230. | 230. | 220. |
| Heat rate (K/min) | 5. | 7. | 2. | 2. | 5. |
| Initial hold (min) | 1. | 3. | |||
| Final hold (min) | 5. | 30. | 30. | 5. | |
| I | 1126. | 1132. | 1101. | 1110. | 1127. |
| Reference | Boix, Victorio, et al., 2010 | Zouari, Zouari, et al., 2010 | Museli, Pau, et al., 2009 | Museli, Pau, et al., 2009 | Shafaghat and Sadeghi, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra 2 | HP-5MS | SE-52 | DB-1 | DB-5 |
| Column length (m) | 50. | 30. | 30. | 50. | 30. |
| Carrier gas | Helium | He | He | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.11 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 95. | 50. |
| Tend (C) | 230. | 280. | 220. | 240. | 250. |
| Heat rate (K/min) | 2. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 1. | |||
| Final hold (min) | 30. | 5. | |||
| I | 1119. | 1119. | 1096. | 1122. | 1115. |
| Reference | Byun and Shin, 2008 | Basta, Pavlovic, et al., 2007 | Bicchi, Cordero, et al., 2007 | Pala-Paul, Brophy, et al., 2007 | Pontes, de Olivera, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-1 | DB-1 | DB-5 | DB-1 |
| Column length (m) | 60. | 50. | 60. | 30. | 50. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 95. |
| Tend (C) | 250. | 250. | 250. | 220. | 240. |
| Heat rate (K/min) | 5. | 2. | 5. | 4. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 40. | ||||
| I | 1105. | 1099. | 1110. | 1128. | 1122. |
| Reference | Salehi, Fakhari, et al., 2007 | Filippi, Lanfranchi, et al., 2006 | Fakhari, Salehi, et al., 2005 | Morteza-Semnani, Akbarzadeh, et al., 2005 | Palá-Paúl, Pérez-Alonso, 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 | HP-5 | DB-5 | DB-5 | HP-5MS |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| 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 | |
| Tstart (C) | 95. | 60. | 35. | 40. | 60. |
| Tend (C) | 240. | 240. | 220. | 250. | 275. |
| Heat rate (K/min) | 4. | 5. | 2.5 | 2. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 6. | 20. | |||
| I | 1122. | 1123. | 1128. | 1123. | 1121. |
| Reference | Pala-Paul, Perez-Alonso, et al., 2005 | Saeidnia, Gohari, et al., 2005 | Rohloff, Mordal, et al., 2004 | Senatore, Rigano, et al., 2004 | Afsharypuor and Jahromy, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | HP-5 | HP-5 |
| Column length (m) | 50. | 30. | ||
| Carrier gas | N2 | N2 | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 95. | 60. | 40. | 40. |
| Tend (C) | 240. | 220. | 210. | 210. |
| Heat rate (K/min) | 4. | 5. | 2. | 2. |
| Initial hold (min) | 10. | |||
| Final hold (min) | ||||
| I | 1111. | 1125. | 1131. | 1131. |
| Reference | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Gallori, Flamini, et al., 2001 | Collin, Deslauriers, et al., 1993 | Collin, Deslauriers, et al., 1993 |
| 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.
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,
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Kadri, Zarai, et al., 2011
Kadri, A.; Zarai, Z.; Chobba, I.B.; Bekir, A.; Gharsallah, N.; Damak, M.; Gdoura, R.,
Chemical constituents and antioxidant properties of Rosmarinus officinalis L. essential oil cultivated from the South-Western of Tunisia,
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Vazques, Aimar, et al., 2011
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Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
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Boix, Victorio, et al., 2010
Boix, V.F.; Victorio, C.P.; Lage, C.L.S.; Kuster, R.M.,
Volatile compounds from Rosmarinus officinalis L. and Baccharis dracunculifolia DC. growing in Southeast coast of Brasil,
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Zouari, S.; Zouari, N.; Fakhfakh, N.; Bougatel, A.; Ayadi, M.A.; Neffati, M.,
Chemical composition and biological activities of a new essential oil chemotype of Tunisian Artemisia herba alba Asso,
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Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
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Shafaghat and Sadeghi, 2009
Shafaghat, A.; Sadeghi, H.,
Composition and antibacterial activity of essentia; oils from leaf, stem and root of Chrysanthemum parthenium (L.) Bernh. from Iran,
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Byun and Shin, 2008
Byun, Y.; Shin, S.,
Analysis of compounds and activity of essential oil from Chrysanthemum zawadskii var. latilobum and C. indicum agaunst antibiotic-resistant pathogenic bacteria,
Nat. Prod. Sci., 2008, 14, 2, 138-142. [all data]
Basta, Pavlovic, et al., 2007
Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O.,
Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
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Bicchi, Cordero, et al., 2007
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Sorptive tape extraction in the analysis of the volatile fraction emitted from biological solid matrices,
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Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
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Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
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Salehi, Fakhari, et al., 2007
Salehi, P.; Fakhari, A.R.; Ebrahimi, S.N.; Heydari, R.,
Rapid essential oil screening of Rosmarinus officinalis L. by hydrodistillation-headspace solvent microextraction,
Flavour Fragr. J., 2007, 22, 4, 280-285, https://doi.org/10.1002/ffj.1793
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Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J.,
Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica,
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Fakhari, Salehi, et al., 2005
Fakhari, A.R.; Salehi, P.; Heydari, R.; Ebrahimi, S.N.; Haddad, P.R.,
Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.,
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Morteza-Semnani, Akbarzadeh, et al., 2005
Morteza-Semnani, K.; Akbarzadeh, M.; Moshiri, K.,
Essential oil composition of Artemisia fragrans Willd. from Iran,
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Palá-Paúl, Pérez-Alonso, et al., 2005
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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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Saeidnia, Gohari, et al., 2005
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Rohloff, Mordal, et al., 2004
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Senatore, Rigano, et al., 2004
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M.,
Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
Flavour Fragr. J., 2004, 19, 2, 149-152, https://doi.org/10.1002/ffj.1285
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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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Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
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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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Notes
Go To: Top, Normal alkane 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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