Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: NFLGAXVYCFJBMK-DTWKUNHWSA-N
- CAS Registry Number: 89-80-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (2R,5S)-2-Isopropyl-5-methylcyclohexanone; p-Menthan-3-one, trans-; p-Menthone; trans-p-Menthan-3-one; trans-Menthan-3-one; Menthone; trans-Menthone; Menthon; 2-Isopropyl-5-methylcyclohexanone, trans; Menthone racemic; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+./.-.)-; Menthan-3-one, trans; DL-Menthone; Menthone G; Neomenthone; trans-p-Menthone; trans-5-Methyl-2-(1-methylethyl)cyclohexanone
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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-5 | BP-1 | HP-5MS | HP-5MS | CP Sil 5 CB |
Column length (m) | 30. | 50. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 60. | 60. | 60. | 80. |
Tend (C) | 250. | 220. | 280. | 280. | 270. |
Heat rate (K/min) | 5. | 2. | 3. | 3. | 10. |
Initial hold (min) | 1. | ||||
Final hold (min) | 10. | 20. | |||
I | 1155. | 1133. | 1154. | 1150. | 1136. |
Reference | Benzo, Gilardoni, et al., 2007 | Castilho, Liu, et al., 2007 | Vagionas, Ngassapa, et al., 2007 | Kukic J., Petrovic S., et al., 2006 | Ziegenbein, Hanssen, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | HP-5MS | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 90. | 40. | 60. | 40. | 60. |
Tend (C) | 220. | 260. | 250. | 240. | 240. |
Heat rate (K/min) | 4. | 2. | 4. | 3. | 3. |
Initial hold (min) | 2. | 5. | 2. | ||
Final hold (min) | 20. | 20. | |||
I | 1163. | 1125. | 1154. | 1153. | 1156. |
Reference | Agnihotri, Agarwal, et al., 2005 | de Feo, Urrunaga Soria, et al., 2005 | Pino, Mesa, et al., 2005 | Shellie and Marriott, 2003 | Tampieri, Galuppi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | CP Sil 5 CB | BPX-5 | BP-1 |
Column length (m) | 30. | 30. | 50. | 50. | 50. |
Carrier gas | He | H2 | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 240. | 280. | 180. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 4. | 2. |
Initial hold (min) | 2. | 10. | 5. | ||
Final hold (min) | 20. | 60. | 5. | 20. | |
I | 1154. | 1152. | 1131. | 1176. | 1135. |
Reference | Pino, Marbot, et al., 2002 | Nogueira, Bittrich, et al., 2001 | Pino and Marbot, 2001 | Zabaras and Wyllie, 2001 | Baldovini, Ristorcelli, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 25. | 25. | 25. | 25. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.20 | 0.20 | 0.20 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 260. | 260. | 260. | 260. | 260. |
Heat rate (K/min) | 1. | 1. | 2. | 2. | 2. |
Initial hold (min) | 8. | 8. | 0. | 0. | 8. |
Final hold (min) | 30. | 30. | 30. | 30. | 30. |
I | 1127. | 1130. | 1132. | 1139. | 1131. |
Reference | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 25. | 25. | 25. | 25. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.20 | 0.20 | 0.20 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 260. | 260. | 260. | 260. | 260. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 4. |
Initial hold (min) | 8. | 8. | 8. | 8. | 8. |
Final hold (min) | 30. | 30. | 30. | 30. | 30. |
I | 1131. | 1134. | 1134. | 1135. | 1137. |
Reference | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 25. | 25. | 25. | 25. |
Carrier gas | He | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.20 | 0.20 | 0.20 | 0.20 |
Phase thickness (μm) | ||||
Tstart (C) | 70. | 70. | 80. | 80. |
Tend (C) | 260. | 260. | 260. | 260. |
Heat rate (K/min) | 2. | 2. | 2. | 2. |
Initial hold (min) | 8. | 8. | 8. | 8. |
Final hold (min) | 30. | 30. | 30. | 30. |
I | 1131. | 1136. | 1135. | 1139. |
Reference | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 | Baaliouamer, Boudarene, et al., 1993 |
Comment | 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.
Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P.,
Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique,
J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031
. [all data]
Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J.,
Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira,
Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771
. [all data]
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]
Kukic J., Petrovic S., et al., 2006
Kukic J.; Petrovic S.; Pavlovic M.; Couladis M.; Tzakou O.; Niketic M.,
Composition of essential oil of Stachys alpina L. ssp dinarica Murb.,
Flavour Fragr. J., 2006, 21, 3, 539-542, https://doi.org/10.1002/ffj.1684
. [all data]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Agnihotri, Agarwal, et al., 2005
Agnihotri, V.K.; Agarwal, S.G.; Dhar, P.L.; Thappa, R.K.; Baleshwar; Kapahi, B.K.; Saxena, R.K.; Qazi, G.N.,
Essential oil composition of Mentha pulegium L. growing wild in the north-western Himalayas India,
Flavour Fragr. J., 2005, 20, 6, 607-610, https://doi.org/10.1002/ffj.1497
. [all data]
de Feo, Urrunaga Soria, et al., 2005
de Feo, V.; Urrunaga Soria, E.; Urrunaga Soria, R.; Pizza, C.,
Composition and in vitro toxicity of the essential oil of Tagetes terniflora HBK. (Asteraceae),
Flavour Fragr. J., 2005, 20, 1, 89-92, https://doi.org/10.1002/ffj.1379
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Tampieri, Galuppi, et al., 2003
Tampieri, M.P.; Galuppi, R.; Carelle, M.S.; Macchioni, F.; Cioni, P.L.; Morelli, I.,
Effect of selected essential oils and pure compounds on Saprolegnia parasitica,
Pharm. Biol., 2003, 41, 8, 584-591, https://doi.org/10.1080/13880200390501839
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Zabaras and Wyllie, 2001
Zabaras, D.; Wyllie, S.G.,
Quantitative analysis of terpenoids in the gas phase using headspace solid-phase microextraction (HS-SPME),
Flavour Fragr. J., 2001, 16, 6, 411-416, https://doi.org/10.1002/ffj.1025
. [all data]
Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J.,
Infraspecific variability of the essential oil of Calamintha nepeta from Corsica (France),
Flavour Fragr. J., 2000, 15, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<50::AID-FFJ871>3.0.CO;2-F
. [all data]
Baaliouamer, Boudarene, et al., 1993
Baaliouamer, A.; Boudarene, L.; Meklati, B.Y.,
Use of local lagrange interpolation of calculation of retention indices in linear temperature-programmed gas chromatrography,
Chromatographia, 1993, 35, 1/2, 67-72, https://doi.org/10.1007/BF02278559
. [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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