Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
- IUPAC Standard InChIKey: DCSCXTJOXBUFGB-UHFFFAOYSA-N
- CAS Registry Number: 80-57-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 2-Pinen-4-one; Berbenone; Verbenone; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
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- Other data available:
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Kovats' RI, polar column, temperature ramp
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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 |
|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 75. | 40. |
| Tend (C) | 230. | 210. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 2. | |
| Final hold (min) | 120. | |
| I | 1730. | 1697. |
| Reference | Tzakou and Couladis, 2001 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Notes
Go To: Top, Kovats' 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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