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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | BP-1 | DB-5 | HP-5 MS | HP-5 MS | HP-5MS |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 45. | 50. | 60. | 60. |
| Tend (C) | 220. | 250. | 280. | 250. | 280. |
| Heat rate (K/min) | 2. | 3. | 4. | 2. | 3. |
| Initial hold (min) | 3. | 8. | |||
| Final hold (min) | 20. | 5. | 15. | ||
| I | 1275. | 1291. | 1292. | 1289. | 1283. |
| Reference | Ottavioli, Bighelli, et al., 2009 | Porto, Decorti, et al., 2009 | Zhao, Zeng, et al., 2009 | Sahraoui, Vian, et al., 2008 | Basta, Pavlovic, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | DB-1 | DB-1 | Methyl Silicone | DB-1 |
| Column length (m) | 50. | 60. | 30. | 25. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 90. | 60. |
| Tend (C) | 250. | 250. | 265. | 220. | 250. |
| Heat rate (K/min) | 2. | 5. | 2.5 | 7. | 5. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 40. | 10. | 20. | ||
| I | 1272. | 1272. | 1269. | 1272. | 1273. |
| Reference | Filippi, Lanfranchi, et al., 2006 | Hadian, Sonboli, et al., 2006 | Iranshahi, Amin, et al., 2006 | Kitchlu, Bakshi, et al., 2006 | Fakhari, Salehi, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | DB-5MS | SPB-1 | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.33 | 0.25 | 0.32 |
| Tstart (C) | 60. | 40. | 50. | 60. | 60. |
| Tend (C) | 250. | 250. | 220. | 280. | 250. |
| Heat rate (K/min) | 6. | 10. | 4. | 4. | 5. |
| Initial hold (min) | 2. | 2. | 3. | 30. | |
| Final hold (min) | 10. | 30. | |||
| I | 1274. | 1292. | 1273. | 1286. | 1294. |
| Reference | Hamilton, Hall, et al., 2005 | Hamilton, Hall, et al., 2005 | Wong and Tan, 2005 | Sadeghpour, Asghari, et al., 2004 | Yassa, Akhani, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SPB-1 | CP Sil 5 CB |
| Column length (m) | 30. | 25. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.2 | |
| Phase thickness (μm) | 0.2 | 0.39 |
| Tstart (C) | 80. | 60. |
| Tend (C) | 300. | 220. |
| Heat rate (K/min) | 5. | 5. |
| Initial hold (min) | 3. | |
| Final hold (min) | ||
| I | 1291. | 1276. |
| Reference | Fraternale, Giamperi, et al., 2000 | Weyerstahl, Marschall, et al., 1999 |
| 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.
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]
Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015
. [all data]
Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T.,
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods,
J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484
. [all data]
Sahraoui, Vian, et al., 2008
Sahraoui, N.; Vian, M.A.; Bornard, I.; Boutekedjiret, C.; Chemat, F.,
Improved microwave steam distillation apparatus for isolation of essential oils. Comparison with conventional steam distillation,
J. Chromatogr. A., 2008, 1210, 2, 229-233, https://doi.org/10.1016/j.chroma.2008.09.078
. [all data]
Basta, Pavlovic, et al., 2007
Basta, A.; Pavlovic, M.; Couladis, M.; Tzakou, O.,
Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
Flavour Fragr. J., 2007, 22, 3, 197-200, https://doi.org/10.1002/ffj.1781
. [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]
Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H.,
Essential oil composition of Nepeta satureioides from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [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]
Fakhari, Salehi, et al., 2005
Fakhari, A.R.; Salehi, P.; Heydari, R.; Ebrahimi, S.N.; Haddad, P.R.,
Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.,
J. Chromatogr. A, 2005, 1098, 1-2, 14-18, https://doi.org/10.1016/j.chroma.2005.08.054
. [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]
Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S.,
Composition of essential oil of Artemisia persica Boiss. from Iran,
Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]
Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Fraternale, Giamperi, et al., 2000
Fraternale, D.; Giamperi, L.; Ricci, D.; Manunta, A.,
Composition of the essential oil of Peucedanum verticillare,
Biochem. Syst. Ecol., 2000, 28, 2, 143-147, https://doi.org/10.1016/S0305-1978(99)00049-6
. [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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.