Lavandulyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
- IUPAC Standard InChIKey: HYNGAVZPWWXQIU-UHFFFAOYSA-N
- CAS Registry Number: 20777-39-3
- 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: (-)-Lavandulyl acetate; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-; (.+/-.)-Lavandulol, acetate; 2-Isopropenyl-5-methyl-4-hexenyl acetate; (E)-Lavandulyl acetate; Lavendulyl acetate; (R)-2-isopropenyl-5-methylhex-4-enyl acetate
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- Other data available:
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Normal alkane RI, 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 | BP-20 | HP-20M | FFAP | DB-Wax | DB-Wax |
| Column length (m) | 50. | 50. | 20. | 30. | 30. |
| Carrier gas | Helium | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.1 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 60. | 60. | 90. | 40. | 60. |
| Tend (C) | 220. | 220. | 250. | 250. | 250. |
| Heat rate (K/min) | 2. | 2. | 6. | 10. | 6. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | 30. | 10. | ||
| I | 1586. | 1576. | 1638. | 1593. | 1608. |
| Reference | Ottavioli, Bighelli, et al., 2009 | Filippi, Lanfranchi, et al., 2006 | Kitchlu, Bakshi, et al., 2006 | Hamilton, Hall, et al., 2005 | Hamilton, Hall, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. |
| Carrier gas | He | He | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 60. |
| Tend (C) | 220. | 200. | 220. |
| Heat rate (K/min) | 4. | 2. | 5. |
| Initial hold (min) | 3. | 2. | |
| Final hold (min) | 30. | ||
| I | 1606. | 1606. | 1615. |
| Reference | Wong and Tan, 2005 | Umano, Hagi, et al., 2000 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y.,
GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350
. [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]
Kitchlu, Bakshi, et al., 2006
Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G.,
Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India),
Flavour Fragr. J., 2006, 21, 4, 690-692, https://doi.org/10.1002/ffj.1674
. [all data]
Hamilton, Hall, et al., 2005
Hamilton, J.G.C.; Hall, D.R.; Kirk, W.D.J.,
Identification of a male-produced aggregation pheromone in the western flower thrips,
J. Chem. Ecol., 2005, 31, 6, 1369-1379, https://doi.org/10.1007/s10886-005-1351-z
. [all data]
Wong and Tan, 2005
Wong, K.C.; Tan, C.H.,
Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br.,
Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457
. [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]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A.,
Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran,
Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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