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, 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-5 |
| Column length (m) | 60. | 30. |
| Carrier gas | He | H2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 40. | 60. |
| Tend (C) | 310. | 220. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 1. | 3. |
| Final hold (min) | 20. | |
| I | 1713. | 1668. |
| Reference | Lalel, Singh, et al., 2003 | Sakho, Chassagne, et al., 1997 |
| 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]
Sakho, Chassagne, et al., 1997
Sakho, M.; Chassagne, D.; Crouzet, J.,
African mango glycosidically bound volatile compounds,
J. Agric. Food Chem., 1997, 45, 3, 883-888, https://doi.org/10.1021/jf960277b
. [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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