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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Normal alkane 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 | SPB-1 | SPB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.53 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 100. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 5. | 5. |
| Initial hold (min) | 3. | |
| Final hold (min) | 15. | |
| I | 1731. | 1745. |
| Reference | Lazarevic, Palic, et al., 2010 | Kilic, Kollmannsberger, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S.,
Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L
. [all data]
Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S.,
Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.,
J. Agric. Food Chem., 2005, 53, 6, 2231-2235, https://doi.org/10.1021/jf040373+
. [all data]
Notes
Go To: Top, Normal alkane 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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