2-Cyclohexen-1-one, 4-(1-methylethyl)-
- Formula: C9H14O
- Molecular weight: 138.2069
- 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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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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 | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | BP-1 | BP-1 | BP-1 | DB-1 |
Column length (m) | 30. | 50. | 50. | 50. | 30. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 50. |
Tend (C) | 280. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 4. |
Initial hold (min) | |||||
Final hold (min) | 20. | 20. | 20. | ||
I | 1184. | 1153. | 1156. | 1157. | 1169. |
Reference | Vagionas, Ngassapa, et al., 2007 | Boti, Bighelli, et al., 2006 | Bousmaha, Boti, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Kuiate, Bessière, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | Optima 5 | HP-5 | CP Sil 5 CB | BP-1 |
Column length (m) | 50. | 25. | 30. | 25. | 50. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 280. | 280. | 280. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 2. |
Initial hold (min) | 15. | 6. | |||
Final hold (min) | 40. | 20. | 20. | ||
I | 1177. | 1179. | 1186. | 1148. | 1157. |
Reference | Stashenko, Jaramillo, et al., 2004 | Vérité, Nacer, et al., 2004 | Tsiri, Kretsi, et al., 2003 | Pino, Marbot, et al., 2002 | Rezzi, Cavaleiro, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-1 | BP-1 | OV-101 | DB-5 |
Column length (m) | 25. | 30. | 50. | 50. | 60. |
Carrier gas | N2 | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
Tstart (C) | 50. | 50. | 60. | 80. | 40. |
Tend (C) | 200. | 220. | 230. | 200. | 220. |
Heat rate (K/min) | 5. | 3. | 2. | 2. | 3. |
Initial hold (min) | 3. | ||||
Final hold (min) | 35. | ||||
I | 1156. | 1150. | 1148. | 1165. | 1188. |
Reference | Menut, Bessiere, et al., 1999 | Muselli, Hoi, et al., 1999 | Mariotti, Costa, et al., 1997 | Yang, Sugisawa, et al., 1992 | Le Quere and Latrasse, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Vagionas, Ngassapa, et al., 2007
Vagionas, K.; Ngassapa, O.; Runyoro, D.; Graikou, K.; Gortzi, O.; Chinou, I.,
Chemical analysis of edible aromatic plants growing in Tanzania,
Food Chem., 2007, 105, 4, 1711-1717, https://doi.org/10.1016/j.foodchem.2007.05.029
. [all data]
Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579
. [all data]
Bousmaha, Boti, et al., 2006
Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J.,
Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria,
Flavour Fragr. J., 2006, 21, 2, 368-372, https://doi.org/10.1002/ffj.1659
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H.,
Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon,
Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686
. [all data]
Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography,
J. Chromatogr. A, 2004, 1025, 1, 105-113, https://doi.org/10.1016/j.chroma.2003.10.059
. [all data]
Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E.,
Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz,
Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353
. [all data]
Tsiri, Kretsi, et al., 2003
Tsiri, D.; Kretsi, O.; Chinou, I.B.; Spyropoulos, C.G.,
Composition of fruit volatiles and annual changes in the volatiles of leaves of Eucalyptus camaldulensis Dehn. growing in Greece,
Flavour Fragr. J., 2003, 18, 3, 244-247, https://doi.org/10.1002/ffj.1220
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H.,
Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba,
Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026
. [all data]
Rezzi, Cavaleiro, et al., 2001
Rezzi, S.; Cavaleiro, C.; Bighelli, A.; Salgueiro, L.; da Cunha, A.P.; Casanova, J.,
Intraspecific chemical variability of the leaf essential oil of Juniperus phoenicea subsp. turbinata from Corsica,
Biochem. Syst. Ecol., 2001, 29, 2, 179-188, https://doi.org/10.1016/S0305-1978(00)00044-2
. [all data]
Menut, Bessiere, et al., 1999
Menut, C.; Bessiere, J.M.; Samate, A.D.; Millogo-Rasolodimby, J.; Nacro, M.,
Apodophyllone and isotorquatone, two arenic ketones from Eucalyptus apodophylla,
Phytochemistry, 1999, 51, 8, 975-978, https://doi.org/10.1016/S0031-9422(99)00050-3
. [all data]
Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J.,
Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam,
Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B
. [all data]
Mariotti, Costa, et al., 1997
Mariotti, J.P.; Costa, J.; Bianchini, A.; Bernardini, A.F.; Casanova, J.,
Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France),
Flavour Fragr. J., 1997, 12, 3, 205-209, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<205::AID-FFJ636>3.0.CO;2-I
. [all data]
Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
. [all data]
Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A.,
Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.),
J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001
. [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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