2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
- 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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- Other data available:
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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 | HP-5 MS | HP-5 MS | HP-5 | HP-5 | ZB-5 |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Nitrogen |
| 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. | 40. | 60. | 60. | 40. |
| Tend (C) | 250. | 250. | 240. | 240. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 5. |
| Initial hold (min) | 1. | 1. | 5. | ||
| Final hold (min) | 20. | 20. | 5. | ||
| I | 1297. | 1339. | 1315. | 1343. | 1311. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Sardashti, Valizadeh, et al., 2013 | Bertoli, Lepnardi, et al., 2011 | Bertoli, Lepnardi, et al., 2011 | Vazquez, Demmel, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | DB-1 | HP-5 | OV-101 | DB-5 |
| Column length (m) | 60. | 60. | 30. | 50. | 30. |
| Carrier gas | Helium | Nitrogen | Helium | Helium | Nitrogen |
| 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. | 70. | 60. |
| Tend (C) | 250. | 250. | 240. | 220. | 220. |
| Heat rate (K/min) | 5. | 5. | 3. | 2. | 5. |
| Initial hold (min) | 15. | 5. | 3. | ||
| Final hold (min) | 15. | 5. | |||
| I | 1343. | 1312. | 1345. | 1317. | 1348. |
| Reference | Mesa-Arango, Betancur-Galvis, et al., 2010 | Meshkatalsadat, Safaei-Ghomi. J., et al., 2010 | Monsef-Esfahani, Miri, et al., 2010 | Benites, Moiteiro, et al., 2009 | Soleimani and Azar, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-5 | CP Sil 5 CB | HP-5 MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | N2 | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 50. | 60. | 60. |
| Tend (C) | 300. | 310. | 200. | 280. | 220. |
| Heat rate (K/min) | 4. | 3. | 5. | 3. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | ||||
| I | 1286. | 1336. | 1340. | 1343. | 1344. |
| Reference | Baran, von Reuss, et al., 2007 | Coelho, Grosso, et al., 2007 | Hnawia, Cabalion, et al., 2007 | Vagionas, Graikou, et al., 2007 | Morteza-Semnani, Akbarzadeh, 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 | PE-5 | HP-5MS | DB-5 | HP-5 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Tstart (C) | 60. | 60. | 60. | 40. | 60. |
| Tend (C) | 250. | 230. | 280. | 210. | 250. |
| Heat rate (K/min) | 5. | 5. | 3. | 2. | 5. |
| Initial hold (min) | 2. | 2. | 3. | ||
| Final hold (min) | 10. | 4. | 33. | ||
| I | 1320. | 1303. | 1340. | 1315. | 1286. |
| Reference | Salehi, Sonboli, et al., 2005 | Singh, Raina, et al., 2005 | Slavkovska, Couladis, et al., 2005 | Stevanovic, Garneau, et al., 2005 | Aghel, Yamini, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | OV-101 |
| Column length (m) | 60. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.5 |
| Phase thickness (μm) | 0.25 | 0.8 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 5. | 2. |
| Initial hold (min) | 15. | |
| Final hold (min) | ||
| I | 1347. | 1324. |
| Reference | Stashenko, Jaramillo, et al., 2003 | De Pooter and Schamp, 1986 |
| 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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Mesa-Arango, Betancur-Galvis, et al., 2010
Mesa-Arango, A.C.; Betancur-Galvis, L.; Montiel, J.; Bueno, J.G.; Baena, A.; Duran, D.C.; Martinez, J.R.; Stashenko, E.E.,
Antifungal activity and chemical composition of the essential oils of Lippia alba (Miller) N.E. Brown grown in different regions of Colombia,
J. Essential Oil Res., 2010, 22, 6, 568-574, https://doi.org/10.1080/10412905.2010.9700402
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Meshkatalsadat, Safaei-Ghomi. J., et al., 2010
Meshkatalsadat, M.H.; Safaei-Ghomi. J.; Moharramipour, S.; Nasseri, M.,
Chemical characterization of volatile components of Tagetes minuta L. cultivated in South West of Iran by nano scale injection,
Digest J. Nanomaterials Biostructures, 2010, 5, 1, 101-106. [all data]
Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y.,
Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498
. [all data]
Benites, Moiteiro, et al., 2009
Benites, J.; Moiteiro, C.; Miguel, G.; Rojo, L.; Lopez, J.; Venancio, F.; Ramalho, L.; Feio, S.; Dandlen, S.; Casanova, H.; Torres, I.,
Composition and biological activity of the essential oil of Peruvial Lantana camara,
J. Chilean Chem. Soc., 2009, 54, 4, 379-384, https://doi.org/10.4067/S0717-97072009000400012
. [all data]
Soleimani and Azar, 2009
Soleimani, M.; Azar, P.A.,
Volatile composition of Ruta graveolens L. of North of Iran,
World Appl. Sci. J., 2009, 7, 1, 124-126. [all data]
Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
. [all data]
Coelho, Grosso, et al., 2007
Coelho, J.A.; Grosso, C.; Pereira, A.P.; Burillo, J.; Urieta, J.S.; Figueiredo, A.C.; Barroso, J.G.; Mendes, R.L.; Palavra, A.M.F.,
Supercritical carbon dioxide extraction of volatiles from Satureja fruticosa Béguinot,
Flavour Fragr. J., 2007, 22, 5, 438-442, https://doi.org/10.1002/ffj.1819
. [all data]
Hnawia, Cabalion, et al., 2007
Hnawia, E.; Cabalion, P.; Raunicher, I.; Waikedre, J.; Patissou, J.; Buchbauer, G.; Menut, C.,
The leaf essential oil of Murraya crenulata (Turcz.) Oliver from New Caledonia,
Flavour Fragr. J., 2007, 22, 1, 32-34, https://doi.org/10.1002/ffj.1745
. [all data]
Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
. [all data]
Salehi, Sonboli, et al., 2005
Salehi, P.; Sonboli, A.; Eftekhar, F.; Nejad-Ebrahimi, S.; Yousefzadi, M.,
Essential Oil Composition, Antibacterial and Antioxidant Activity of the Oil and Various Extracts of Ziziphora clinopodioides subsp. rigida (BOISS.) RECH. f. from Iran,
Biol. Pharm. Bull., 2005, 28, 10, 1892-1896, https://doi.org/10.1248/bpb.28.1892
. [all data]
Singh, Raina, et al., 2005
Singh, A.K.; Raina, V.K.; Naqvi, A.A.; Patra, N.K.; Kumar, B.; Ram, P.; Khanuja, S.P.S.,
Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f. piperascens Malinvaud ex. Holmes) cultivars,
Flavour Fragr. J., 2005, 20, 3, 302-305, https://doi.org/10.1002/ffj.1417
. [all data]
Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R.,
Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro,
Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y
. [all data]
Stevanovic, Garneau, et al., 2005
Stevanovic, T.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.; Vilotic, D.; Petrovic, S.; Ruzic, N.; Pichette, A.,
The essential oil composition of Pinus mugo Turra from Serbia,
Flavour Fragr. J., 2005, 20, 1, 96-97, https://doi.org/10.1002/ffj.1390
. [all data]
Aghel, Yamini, et al., 2004
Aghel, N.; Yamini, Y.; Hadjiakhoondi, A.; Pourmortazavi, S.M.,
Supercritical carbon dioxide extraction of Mentha pulegium L. essential oil,
Talanta, 2004, 62, 2, 407-411, https://doi.org/10.1016/j.talanta.2003.08.011
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]
De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M.,
Comparison of the Volatile Composition of Some Calamintha/Satureja Species,
Prog. Essnt. Oil. Res., 1986, 139-150. [all data]
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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