2-Cyclopenten-1-one, 3-methyl-
- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChI: InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: CHCCBPDEADMNCI-UHFFFAOYSA-N
- CAS Registry Number: 2758-18-1
- 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: 1-Methyl-1-cyclopenten-3-one; 3-Methyl-2-cyclopentenone; 3-Methyl-2-cyclopenten-1-one; 3-methylcyclopent-2-enone
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- Other data available:
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Normal alkane RI, 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 |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. |
| Carrier gas | Hydrogen | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) | 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
| I | 1507. | 1500. | 1506. |
| Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Lee, Lee, et al., 2005 | Lee, Lee, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S.,
Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee.,
J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004
. [all data]
Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S.,
Antioxidant activity and characterization of volatile constituents of beechwood creosote,
J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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