Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- 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
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- Other data available:
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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 | HP-5 MS | HP-5 MS | ZB-5 | ZB-5 | SLB-5 MS |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Nitrogen | Nitrogen | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
I | 1123. | 1124. | 1121. | 1121. | 1122. |
Reference | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | Vazques, Aimar, et al., 2011 | Vazquez, Demmel, et al., 2011 | Costa, De Fina, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | SLB-5 MS | SLB-5 MS | HP-5 MS | BP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 40 0C (5 min) 2 0C/min -> 250 0C (15 min) 10 0C/min -> 270 0C | 60C => 4C/min => 150C => 10C/min => 220C |
I | 1124. | 1087. | 1086. | 1125. | 1129. |
Reference | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Formisano, Rigano, et al., 2007 | Hashemi, Abolghasemi, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | BPX-5 | CP Sil 8 CB | SE-30 |
Column length (m) | 30. | 30. | 30. | 50. | |
Carrier gas | Hydrogen | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 50C => 3C/min => 150C (10min) => 10C/min => 250C | 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min) | 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) | not specified |
I | 1123. | 1146. | 1123. | 1123. | 1111. |
Reference | Pontes, de Olivera, et al., 2007 | Ozer H., Kilic H., et al., 2006 | Judzentiene and Mockute, 2005 | Judpentienë and Mockutë, 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | CP Sil 8 CB | Polydimethyl siloxanes | OV-101 |
Column length (m) | 50. | 2.5 | |
Carrier gas | He | N2 | |
Substrate | Chromosorb G 60-80mesh DMCS | ||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | 0.25 | ||
Program | 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) | not specified | not specified |
I | 1123. | 1111. | 1100. |
Reference | Mockute and Judzentiene, 2003 | Zenkevich, 1997 | Swigar and Silverstein, 1981 |
Comment | 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.
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I.,
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,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Formisano, Rigano, et al., 2007
Formisano, C.; Rigano, D.; Napolitano, F.; Senatore, F.; Arnold, N.A.; Piozzi, F.; Rosselli, S.,
Volatile constituents of Calamintha ariganifolia Boiss. growing wild in Lebanon,
Natural Product Communications, 2007, 2, 12, 1253-1256. [all data]
Hashemi, Abolghasemi, et al., 2007
Hashemi, P.; Abolghasemi, M.M.; Fakhari, A.R.; Ebrahimi, S.N.; Ahmadi, S.,
Hydrodistillation-Solvent Microextraction and GC-MS Identification of Volatile Components of Artemisia aucheri,
Chromatographia, 2007, 66, 3-4, 283-286, https://doi.org/10.1365/s10337-007-0289-4
. [all data]
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),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Ozer H., Kilic H., et al., 2006
Ozer H.; Kilic H.; Gulluce M.; Sahin F.,
Essential oil composition of Tanacetum sorbifolium (Boiss.) Grierson from Turkey,
Flavour Fragr. J., 2006, 21, 3, 543-545, https://doi.org/10.1002/ffj.1656
. [all data]
Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D.,
The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania,
Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003
. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L.,
Chemija, 2004, 15, 28-32. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region,
Chemija, 2003, 14, 2, 103-107. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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