2-Cyclohexen-1-one, 4-(1-methylethyl)-
- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChI: InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3
- IUPAC Standard InChIKey: AANMVENRNJYEMK-UHFFFAOYSA-N
- CAS Registry Number: 500-02-7
- 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: 4-Isopropylcyclohex-2-enone; Crypton; Cryptone; Cryptone, L-; 2-Cyclohexen-1-one, 4-isopropyl-; 4-(1-Methylethyl)-2-cyclohexen-1-one; 4-Isopropyl-2-cyclohexenone; 4-Isopropyl-2-cyclohexen-1-one; Kryptone; NSC 22060; 2-Cyclohexenone, 4-isopropyl; Criptone; 4-isopropylcyclohex-2-en-1-one
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Kovats' 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 |
|---|---|---|
| Active phase | HP-Wax | DB-Wax |
| Column length (m) | 50. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.32 |
| Phase thickness (μm) | 0.4 | 0.25 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 230. | 220. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 5. | |
| Final hold (min) | 30. | |
| I | 1713. | 1645. |
| Reference | Gauvin, Lecomte, et al., 2004 | Lopes, Strobl, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Notes
Go To: Top, Kovats' 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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