Carvenone
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: RLYSXAZAJUMULG-UHFFFAOYSA-N
- CAS Registry Number: 499-74-1
- 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: 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-; p-Menth-3-en-2-one; p-3-menthen-2-one (carvenone); 3-(isopropyl)-6-methylcyclohex-2-en-1-one
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 163599 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 120. | 1236. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1236.2 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1253. | El-Massry, El-Ghorab, et al., 2002 | 30. m/0.25 mm/0.5 μm, 50. C @ 3. min, 7. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1252. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1252. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1260. | Muselli, Hoi, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 3. min, 3. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1277. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| Capillary | 5 % Phenyl methyl siloxane | 1258. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 25. | 1252. | Hemmateenejad, Jawadnia, et al., 2007 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1258. | Vagionas, Graikou, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5 | 1258. | Chaverri and Cicció, 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | Methyl Silicone | 1252. | Chalchat and Özcan, 2005 | He, 3. K/min; Column length: 60. m; Column diameter: 0.3 mm; Tstart: 50. C; Tend: 240. C |
| Capillary | HP-5 | 1238. | Utsunomia, Kawata, et al., 2005 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C |
| Capillary | DB-1 | 1226. | Dabiri and Sefidkon, 2003 | He, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5 | 1255. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | OV-101 | 1235. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1262. | Attia, Grissa, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 6 0C -> 120 0C (5 min) 8 0C/min -> 300 0C |
| Capillary | SE-52 | 1258. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-30 | 1250. | Vinogradov, 2004 | Program: not specified |
| Capillary | OV-1 | 1208. | Kökdil, 1998 | 50. m/0.32 mm/0.25 μm, He; Program: 1)50C(1min) => 4C/min => 180C => 2C/min => 250C(10min) 2)50C(1min) => 6C/min => 200C => 12C/min => 250C(5min) |
| Capillary | CP Sil 5 CB | 1227. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
| Capillary | DB-5 | 1252. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1250. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1737. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | Carbowax 20M | 1710. | Vernin, Lageot, et al., 2001 | 50. m/0.22 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 1714. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1737. | Baser, Özek, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1737. | Demirci, Paper, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax | 1737. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
| Capillary | HP-Innowax | 1737. | Baser, Demirci, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
| Capillary | Innowax | 1737. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
El-Massry, El-Ghorab, et al., 2002
El-Massry, K.F.; El-Ghorab, A.H.; Farouk, A.,
Antioxidant activity and volatile components of Egyptian Artemisia judaica L.,
Food Chem., 2002, 79, 3, 331-336, https://doi.org/10.1016/S0308-8146(02)00164-4
. [all data]
Adams, 2000
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [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]
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]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Hemmateenejad, Jawadnia, et al., 2007
Hemmateenejad, B.; Jawadnia, K.; Elyasi, M.,
Quantitative structure - retention relationship for the Kovats retention indices of a large set of terpenes: a comdined data splitting-feature selection strategy,
Anal. Chim. Acta, 2007, 592, 1, 72-81, https://doi.org/10.1016/j.aca.2007.04.009
. [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]
Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F.,
Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii,
Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611
. [all data]
Chalchat and Özcan, 2005
Chalchat, J.-C.; Özcan, M.,
Constituents of the essential oil of Sideritis erythantha Boiss. Heldr. Var. erythrantha,
Gen. Appl. Plant Physiology, 2005, 31, 1-2, 65-70. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Dabiri and Sefidkon, 2003
Dabiri, M.; Sefidkon, F.,
Chemical compositional of Nepeta crassifolia Boiss. Buhse oil from Iran,
Flavour Fragr. J., 2003, 18, 3, 225-227, https://doi.org/10.1002/ffj.1199
. [all data]
Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
. [all data]
Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H.,
Volatile constituents in the peel oil of sudachi (Citrus sudachi),
Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721
. [all data]
Attia, Grissa, et al., 2012
Attia, S.; Grissa, K.L.; Mailleux, A.C.; Heuskin, S.; Lognay, G.; Hance, T.,
Acaricidal activities of Santolina africana and Hertia cheirifolia essential oils against the two-spotted spider mite (Tetranychus urticae),
Pest Management Sci., 2012, Postprint, 001-011. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kökdil, 1998
Kökdil, G.,
Composition of the essential oil of Clinopodium vulgare L. ssp. arundanum (Boiss.) Nyman collected from two different localities in Turkey,
Flavour Fragr. J., 1998, 13, 3, 170-172, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<170::AID-FFJ721>3.0.CO;2-H
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Investigation of the origanum onites L. essential oil using the Chorioallantoic Membrane (CAM) assay,
J. Agric. Food Chem., 2004, 52, 2, 251-254, https://doi.org/10.1021/jf034850k
. [all data]
Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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