1,5-Heptadien-4-one, 3,3,6-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
- IUPAC Standard InChIKey: OTYVBQZXUNBRTK-UHFFFAOYSA-N
- CAS Registry Number: 546-49-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Artemisia ketone; Isoartemisia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; Artemesia; Artemesia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; 3,3,6-Trimethylhepta-1,5-dien-4-one; 3,3,6-Trimethyl-1,5-heptadien-4-one
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | SLB-5 MS | SLB-5 MS | HP-5 MS | Optima-5MS | HP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Program | not specified | not specified | 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min) | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) |
| I | 1041. | 1042. | 1062. | 1057. | 1062. |
| Reference | Mondello, 2012 | Mondello, 2012 | Liu, Chu, et al., 2010 | HEuskin, Godin, et al., 2009 | Merle, Verdeguer, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | CP Sil 8 CB | SE-52 | SE-30 | |
| Column length (m) | 30. | 50. | 30. | ||
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | ||
| Program | 50C => 3C/min => 150C(10min) => 10C/min => 250C | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | not specified |
| I | 1071. | 1062. | 1062. | 1048. | 1059. |
| Reference | Salamci, Kordali, et al., 2007 | Judzentiene and Buzelyte, 2006 | Tognolini, Barocelli, et al., 2006 | El-Shazily, Hafez, et al., 2004 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SE-30 | CP Sil 8 CB | CP Sil 5 CB | Polydimethyl siloxanes |
| Column length (m) | 50. | 30. | ||
| Carrier gas | He | N2 | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.25 | |||
| Program | not specified | 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) | not specified | not specified |
| I | 1059. | 1062. | 1049. | 1059. |
| Reference | Vinogradov, 2004 | Mockute and Judzentiene, 2003 | Weyerstahl, Marschall, et al., 1997 | Zenkevich, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Liu, Chu, et al., 2010
Liu, Z.L.; Chu, S.S.; Liu, Q.R.,
Chemical composition and insecticidial activity against Sitophilus zeamais of the essential oils of Artemisia capillaris and Artemisia mongolica,
Molecules, 2010, 15, 4, 2600-2608, https://doi.org/10.3390/molecules15042600
. [all data]
HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G.,
Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae),
J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y.,
Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum,
Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [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]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region,
Chemija, 2003, 14, 2, 103-107. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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