2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: HKZQJZIFODOLFR-UHFFFAOYSA-N
- CAS Registry Number: 491-09-8
- 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: p-Mentha-1,4(8)-dien-3-one; Piperitenone; Pulespenone; 3-Terpinolenone; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 3-methyl-6-(1-methylethylidene)cyclohex-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-5 | HP-5MS | CP Sil 5 CB | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 20. | 30. |
Carrier gas | He | He | N2 | 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) | 40. | 60. | 50. | 60. | 90. |
Tend (C) | 250. | 280. | 200. | 240. | 220. |
Heat rate (K/min) | 5. | 3. | 5. | 5. | 4. |
Initial hold (min) | 1. | 4. | 2. | ||
Final hold (min) | 10. | 15. | |||
I | 1343. | 1344. | 1340. | 1309. | 1347. |
Reference | Benzo, Gilardoni, et al., 2007 | Vagionas, Ngassapa, et al., 2007 | Andrianoelisoa H.S., Menut C., et al., 2006 | Kallio, Jussila, et al., 2006 | Agnihotri, Agarwal, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | HP-5 | HP-5 | DB-5 |
Column length (m) | 30. | 50. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 35. | 60. | 60. | 60. |
Tend (C) | 260. | 250. | 220. | 280. | 260. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 4. |
Initial hold (min) | 15. | 10. | |||
Final hold (min) | 40. | ||||
I | 1343. | 1347. | 1343. | 1338. | 1342. |
Reference | Javidnia, Miri, et al., 2004 | Stashenko, Jaramillo, et al., 2004 | Emilio Tomei, Manganelli, et al., 2003 | Ngassapa, Runyoro, et al., 2003 | Javidnia, Miri, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | BP-1 | Methyl Silicone |
Column length (m) | 50. | 50. |
Carrier gas | N2 | |
Substrate | ||
Column diameter (mm) | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.17 |
Tstart (C) | 60. | 80. |
Tend (C) | 220. | 200. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | 20. | |
I | 1315. | 1316. |
Reference | Baldovini, Ristorcelli, et al., 2000 | Sumathykutty, Rao, et al., 1999 |
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.
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]
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]
Andrianoelisoa H.S., Menut C., et al., 2006
Andrianoelisoa H.S.; Menut C.; de Chatelperron P.C.; Saracco J.; Ramanoelina P.; Danthu P.,
Intraspecific chemical variability and highlighting of chemotypes of leaf essential oils from Ravensara aromatica Sonnerat a tree endemic to Madagascar,
Flavour Fragr. J., 2006, 21, 5, 833-838, https://doi.org/10.1002/ffj.1735
. [all data]
Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T.,
Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest,
J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050
. [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]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Sadeghpour, H.,
Composition of the volatile oil of Achillea wilhelmsii C. Koch from Iran,
DARU, 2004, 12, 2, 63-66, retrieved from http://www1.tums.ac.ir/daru/. [all data]
Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparison of different extraction methods for the analysis of volatile secondary metabolites of Lippia alba (Mill.) N.E. Brown, grown in Colombia, and evaluation of its in vitro antioxidant activity,
J. Chromatogr. A, 2004, 1025, 1, 93-103, https://doi.org/10.1016/j.chroma.2003.10.058
. [all data]
Emilio Tomei, Manganelli, et al., 2003
Emilio Tomei, P.; Manganelli, R.E.U.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Composition of the essential oil of Mentha microphylla from the Gennargentu Mountains (Sardinia, Italy),
J. Agric. Food Chem., 2003, 51, 12, 3614-3617, https://doi.org/10.1021/jf026091w
. [all data]
Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B.,
Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae),
Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [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]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [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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