Artemisia acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3
- IUPAC Standard InChIKey: NGIKFWJEQGLTBM-UHFFFAOYSA-N
- CAS Registry Number: 3465-88-1
- 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. - Species with the same structure:
- Other names: Artemisyl acetate; Artemisia alcohol acetate; (S)-3,3,6-Trimethylhepta-1,5-dien-4-yl acetate; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, 4-acetate, (4S)-; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (4S)-; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (S)-; β-Artemisia acetate; 2,5,5-trimethylhepta-2,6-dien-4-yl acetate
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1172. | Asfaw, Licence, et al., 2005 | 10. m/0.1 mm/0.1 μm, He, 60. C @ 5. min, 5. K/min, 240. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1152. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5 | 1172. | Javidnia, Miri, et al., 2004 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5 | 1173. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | OV-1 | 1161. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1174.1 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1404. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1433. | Bicchi, Rubiolo, et al., 1998 | 25. m/0.25 mm/0.3 μm, H2, 50. C @ 1. min, 3. K/min, 200. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1153. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | RTX-1 | 1155. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | HP-1 | 1164. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | DB-5 | 1172. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1173. | Rohloff, Mordal, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 2.5 K/min, 220. C @ 6. min; Tstart: 35. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1173. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1158. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1190. | Zenkevich, 1999 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1390. | Museli, Pau, et al., 2009 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | DB-Wax | 1417. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asfaw, Licence, et al., 2005
Asfaw, N.; Licence, P.; Novitskii, A.; Poliakoff, M.,
Green Chemistry in Ethiopia: the cleaner extraction of essential oils from Artemisia afra: a comparison of clean technology with conventional methodology,
Green Chem., 2005, 7, 5, 352-356, https://doi.org/10.1039/b417961g
. [all data]
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves,
J. Agric. Food Chem., 2003, 51, 8, 2267-2271, https://doi.org/10.1021/jf021050l
. [all data]
Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R.,
Constituents of Artemisia roxburghiana Besser essential oil,
Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [all data]
Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J.,
Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica,
J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y
. [all data]
Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
. [all data]
Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S.,
Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway,
J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430
. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols,
Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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