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
View 3d structure (requires JavaScript / HTML 5) - 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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Van Den Dool and Kratz 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 | RTX-1 | DB-5 | HP-5MS | RTX-1 | RTX-1 |
| Column length (m) | 60. | 50. | 30. | 60. | 60. |
| Carrier gas | He | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.25 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 230. | 220. | 280. | 220. | 220. |
| Heat rate (K/min) | 2. | 5. | 4. | 2. | 2. |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | 30. | 5. | 20. | 20. | |
| I | 1099. | 1123. | 1125. | 1103. | 1088. |
| Reference | Muselli, Rossi, et al., 2007 | Esmaeili, Nematollahi, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Cozzani, Muselli, et al., 2005 | Cozzani, Muselli, 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 | SE-54 | DB-1 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 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. | 60. | 50. | 50. |
| Tend (C) | 250. | 260. | 260. | 265. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 2.5 | 3. |
| Initial hold (min) | 8. | 5. | 5. | ||
| Final hold (min) | 20. | ||||
| I | 1106. | 1126. | 1120. | 1092. | 1125. |
| Reference | Dob, Dahmane, et al., 2005 | Senatore, Napolitano, et al., 2005 | Alma, Nitz, et al., 2004 | Ramezani, Behravan, et al., 2004 | Salido, Valenzuela, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | HP-5 | DB-1 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 50. |
| Tend (C) | 250. | 250. | 280. | 220. | 250. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | ||||
| I | 1106. | 1124. | 1123. | 1100. | 1125. |
| Reference | Salido, Valenzuela, et al., 2004 | Salido, Altarejos, et al., 2003 | Magiatis, Skaltsounis, et al., 2002 | Pintore, Usai, et al., 2002 | Salido, Altarejos, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 25. | 25. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 60. | 60. |
| Tend (C) | 250. | 250. | 260. | 260. |
| Heat rate (K/min) | 3. | 3. | 5. | 5. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1106. | 1106. | 1102. | 1089. |
| Reference | Salido, Altarejos, et al., 2001 | Salido, Altarejos, et al., 2001 | Weyerstahl, Marschall, et al., 1999 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Esmaeili, Nematollahi, et al., 2006
Esmaeili, A.; Nematollahi, F.; Rustaiyan, A.; Moazami, N.; Masoudi, S.; Bamasian, S.,
Volatile constituents of Achillea pachycephala, A. oxyodonta and A. biebersteinii from Iran,
Flavour Fragr. J., 2006, 21, 2, 253-256, https://doi.org/10.1002/ffj.1571
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C.,
Chemical composition of the essential oil of Artemisia campestris L. from Algeria,
Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664
. [all data]
Senatore, Napolitano, et al., 2005
Senatore, F.; Napolitano, F.; Arnold, N.A.; Bruno, M.; Herz, W.,
Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae),
Flavour Fragr. J., 2005, 20, 3, 291-294, https://doi.org/10.1002/ffj.1411
. [all data]
Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N.,
Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.),
J. Agric. Food Chem., 2004, 52, 12, 3911-3914, https://doi.org/10.1021/jf040014e
. [all data]
Ramezani, Behravan, et al., 2004
Ramezani, M.; Behravan, J.; Yazdinezhad, A.,
Chemical composition and antimicrobial activity of the volatile oil of Artemisia khorassanica from Iran,
Pharm. Biol., 2004, 42, 8, 599-602, https://doi.org/10.1080/13880200490902482
. [all data]
Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E.,
Composition and infraspecific variability of Artemisia herba-alba from southern Spain,
Biochem. Syst. Ecol., 2004, 32, 3, 265-277, https://doi.org/10.1016/j.bse.2003.09.002
. [all data]
Salido, Altarejos, et al., 2003
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Luque, P.,
Chemical composition and seasonal variations of rosemary oil from Southern Spain,
J. Essent. Oil Res., 2003, 15, 1, 10-14, https://doi.org/10.1080/10412905.2003.9712248
. [all data]
Magiatis, Skaltsounis, et al., 2002
Magiatis, P.; Skaltsounis, A.-L.; Chinou, I.; Haroutounian, S.A.,
Chemical composition and in-vitro antimicrobial activity of the essential oils of three greek Achillea species,
Z. Naturforsch., 2002, 57c, 287-290. [all data]
Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J.,
Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica,
Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022
. [all data]
Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F.,
Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran,
Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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