2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-
- Formula: C13H22O2
- Molecular weight: 210.3126
- IUPAC Standard InChI: InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3
- IUPAC Standard InChIKey: UEEJDIUOCUCVHN-UHFFFAOYSA-N
- CAS Registry Number: 36151-02-7
- 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-α-ionol; Blumenol C; 2-Cyclohexen-1-one, 4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-, (4R)-; (9R)-9-Hydroxy-4-megastigmen-3-one; 4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one; 52691-89-1; 7,8-Dihydro-3-oxo-α-ionol; 9-Hydroxymegastigma-4-en-3-one; 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
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Van Den Dool and Kratz 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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 50. |
| Tend (C) | 245. | 245. | 245. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. |
| Initial hold (min) | 3. | 3. | 3. | 3. |
| Final hold (min) | 20. | 20. | 20. | 20. |
| I | 2732. | 2726. | 2704. | 2694. |
| Reference | Aubert, Ambid, et al., 2003 | Wirth, Guo, et al., 2001 | Bureau, Baumes, et al., 2000 | Humpf and Schreier, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z.,
Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation,
J. Agric. Food Chem., 2003, 51, 21, 6280-6286, https://doi.org/10.1021/jf034613h
. [all data]
Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z.,
Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars,
J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l
. [all data]
Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J.,
Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah,
J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x
. [all data]
Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P.,
Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.),
J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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