2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
- Formula: C13H20O2
- Molecular weight: 208.2967
- IUPAC Standard InChI: InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3
- IUPAC Standard InChIKey: QUHPCHDTFDSTTL-UHFFFAOYSA-N
- CAS Registry Number: 72008-46-9
- 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: 3-Oxo-7,8-dihydro-β-ionol; 4-Oxo-.beta.-dihydroionone; 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one
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Van Den Dool and Kratz RI, non-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 | HP-5MS | DB-5MS |
| Column length (m) | 60. | 30. |
| Carrier gas | He | H2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 310. | 200. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 1. | |
| Final hold (min) | 20. | |
| I | 1731. | 1675. |
| Reference | Lalel, Singh, et al., 2003 | Chassagne, Boulanger, et al., 1999 |
| Comment | 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.
Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S.,
Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity,
Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [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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