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
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- Other data available:
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Normal alkane RI, 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-Wax | HP-Innowax | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 60. | 30. | 60. | 60. | |
| Carrier gas | Helium | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 40. | 30. | 40. | 40. |
| Tend (C) | 230. | 250. | 170. | 200. | 210. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 4. | 2. | 2. | |
| Final hold (min) | 30. | 30. | 120. | ||
| I | 1480. | 1540. | 1504. | 1501. | 1510. |
| Reference | Museli, Pau, et al., 2009 | Formisano, Rigano, et al., 2007 | Buttery, Light, et al., 2000 | Umano, Hagi, et al., 2000 | Collin, Deslauriers, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax-10 |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 40. |
| Tend (C) | 210. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 2. |
| Final hold (min) | 120. |
| I | 1510. |
| Reference | Collin, Deslauriers, et al., 1993 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
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,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [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]
Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N.,
Volatile components of green walnut husks,
J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Collin, Deslauriers, et al., 1993
Collin, G.J.; Deslauriers, H.; Pageau, N.; Gagnon, M.,
Essential oil of Tansy (Tanacetum vulgare L.) of Canadian origin,
J. Essent. Oil Res., 1993, 5, 6, 629-638, https://doi.org/10.1080/10412905.1993.9698296
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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