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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | RTX-1 | RTX-1 | RTX-1 | DB-5 | HP-5 MS |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 70. |
| Tend (C) | 230. | 230. | 230. | 280. | 290. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | 5. | 5. | 30. | ||
| I | 1160. | 1160. | 1160. | 1180. | 1192. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Bendiabdellah, El Amine Dib, et al., 2012 | Dib, Djabou, et al., 2010 | Georgiou, Koutsaviti, et al., 2010 | Lazarevic, Radulovic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | HP-5 | HP-5 MS | RTX-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 20. | 30. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.18 | 0.32 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.20 | 0.25 |
| Tstart (C) | 70. | 70. | 70. | 50. | 60. |
| Tend (C) | 220. | 290. | 290. | 280. | 300. |
| Heat rate (K/min) | 3. | 5. | 5. | 4. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 15. | 10. | |||
| I | 1152. | 1194. | 1191. | 1191. | 1155. |
| Reference | Neves, Rosa, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Radulovic, Dordevic, et al., 2010, 2 | Skalicka-Wozniak, Los, et al., 2008 | Baran, von Reuss, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | Helium | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 60. | 60. |
| Tend (C) | 240. | 220. | 290. | 250. | 290. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 8. | ||||
| Final hold (min) | 15. | ||||
| I | 1177. | 1202. | 1177. | 1178. | 1177. |
| Reference | Bos, Woerdenbag, et al., 2007 | Chyau, Tsai, et al., 2007 | Elfami, Bos, et al., 2007 | Ferhat, Tigrine-Kordjani, et al., 2007 | Elfami, Komar, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5MS | SE-30 | HP-1 | DB-5 |
| Column length (m) | 60. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.3 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | |
| Tstart (C) | 60. | 60. | 90. | 60. | 60. |
| Tend (C) | 250. | 243. | 220. | 250. | 240. |
| Heat rate (K/min) | 5. | 3. | 7. | 2. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 10. | 60. | |||
| I | 1163. | 1184. | 1140. | 1156. | 1165. |
| Reference | Hadian, Sonboli, et al., 2006 | Sabulal, Dan, et al., 2006 | Ahuja, Bakshi, et al., 2005 | Bendimerad and Bendiab, 2005 | Chagonda and Chalchat, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | CP Sil 5 CB | DB-5 | RTX-1 | DB-5 |
| Column length (m) | 60. | 25. | 30. | 30. | 50. |
| Carrier gas | He | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 50. |
| Tend (C) | 250. | 230. | 210. | 300. | 220. |
| Heat rate (K/min) | 5. | 3. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 33. | ||||
| I | 1165. | 1160. | 1184. | 1159. | 1183. |
| Reference | Fakhari, Salehi, et al., 2005 | Ogunwande, Olawore, et al., 2005 | Stevanovic, Garneau, et al., 2005 | Lis, Boczek, et al., 2004 | Masotti, Juteau, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | OV-101 | DB-5 | OV-101 | OV-101 |
| Column length (m) | 60. | 50. | 30. | 50. | 50. |
| Carrier gas | He | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 80. | 40. | 80. | 80. |
| Tend (C) | 200. | 200. | 210. | 200. | 200. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 6. | 2. | |||
| Final hold (min) | 33. | ||||
| I | 1151. | 1165. | 1183. | 1165. | 1165. |
| Reference | Cimanga, Apers, et al., 2002 | Yang, 2001 | Sohounhloue, Dangou, et al., 1996 | Tamura, Yang, et al., 1993 | Tamura, Yang, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | OV-101 |
| Column length (m) | 50. | 50. |
| Carrier gas | N2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | ||
| Tstart (C) | 80. | 80. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1165. | 1161. |
| Reference | Yang and Sugisawa, 1990 | Sugisawa, Yang, et al., 1989 |
| 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.
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Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
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Variation of the volatile content of the fruits of Peucedanum alsaticum L.,
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Composition of the essential oil of Abies koreana Wils.,
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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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