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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Van Den Dool and Kratz 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 | RTX-1 | RTX-1 | DB-5 | HP-5MS | DB-1 |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 230. | 230. | 240. | 280. | 250. |
| Heat rate (K/min) | 2. | 2. | 3. | 4. | 2. |
| Initial hold (min) | 3. | 5. | 8. | ||
| Final hold (min) | 30. | 45. | 3. | ||
| I | 1267. | 1272. | 1277. | 1293. | 1273. |
| Reference | Muselli, Rossi, et al., 2007 | Cavalli, Tomi, et al., 2006 | Dob, Dahmane, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Dob, Dahmane, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | RTX-1 | BP-1 | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 50. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 260. | 230. | 230. | 250. | 240. |
| Heat rate (K/min) | 3. | 2. | 2. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 35. | 35. | |||
| I | 1290. | 1271. | 1273. | 1291. | 1289. |
| Reference | Javidnia, Miri, et al., 2005 | Paolini, Costa, et al., 2005 | Vellutini, Baldovini, et al., 2005 | Salido, Valenzuela, et al., 2004 | Bader, Flamini, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | RTX-5 | RTX-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 45. | 45. | 60. |
| Tend (C) | 240. | 250. | 250. | 250. | 380. |
| Heat rate (K/min) | 3. | 4. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 6. | 6. | ||
| Final hold (min) | 20. | ||||
| I | 1289. | 1289. | 1289. | 1298. | 1288. |
| Reference | Tampieri, Galuppi, et al., 2003 | Pino, Marbot, et al., 2002 | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Couladis, Tsortanidou, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Capillary |
|---|---|---|---|
| Active phase | HP-5MS | OV-101 | OV-101 |
| Column length (m) | 30. | 2. | |
| Carrier gas | He | Ar | |
| Substrate | W-AW-DMCS | ||
| Column diameter (mm) | 0.25 | ||
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 50. | 100. | 100. |
| Tend (C) | 250. | ||
| Heat rate (K/min) | 3. | 2. | 2. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1291. | 1271. | 1271. |
| Reference | Salido, Altarejos, et al., 2001 | Szabolcs, Benecke, et al., 1985 | Benecke, Thieme, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C.,
Chemical composition of the essential oil of Artemisia campestris L. from Algeria,
Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N.,
Chemical composition of Ferula persica Wild. essential oil from Iran,
Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Vellutini, Baldovini, et al., 2005
Vellutini, M.; Baldovini, N.; de Rocca Serra, D. Tomi; Casanova, J.,
β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica,
Phytochemistry, 2005, 66, 16, 1956-1962, https://doi.org/10.1016/j.phytochem.2005.07.001
. [all data]
Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E.,
Composition and infraspecific variability of Artemisia herba-alba from southern Spain,
Biochem. Syst. Ecol., 2004, 32, 3, 265-277, https://doi.org/10.1016/j.bse.2003.09.002
. [all data]
Bader, Flamini, et al., 2003
Bader, A.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oil composition of Achillea santolina L. and Achillea biebersteinii Afan. collected in Jordan,
Flavour Fragr. J., 2003, 18, 1, 36-38, https://doi.org/10.1002/ffj.1147
. [all data]
Tampieri, Galuppi, et al., 2003
Tampieri, M.P.; Galuppi, R.; Carelle, M.S.; Macchioni, F.; Cioni, P.L.; Morelli, I.,
Effect of selected essential oils and pure compounds on Saprolegnia parasitica,
Pharm. Biol., 2003, 41, 8, 584-591, https://doi.org/10.1080/13880200390501839
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675
. [all data]
Szabolcs, Benecke, et al., 1985
Szabolcs, N.; Benecke, R.; Thieme, H.,
Természetes eredetu növényi anyagok gázkromatográfiás retenciós tulajdonságai. I. A lavandula- és lavandinolaj fo kimponenseinek retenciós indexei,
Acta Pharm. Hung., 1985, 55, 49-58. [all data]
Benecke, Thieme, et al., 1982
Benecke, R.; Thieme, H.; Nyiredy, Sz.,
Retentionsverhalten der Hauptkomponenten der Lavendel und Lavandinöle an Verschiedenen stationären Phasen in Abhängigkeit von der Säulentemperatur,
J. Chromatogr., 1982, 238, 1, 75-87, https://doi.org/10.1016/S0021-9673(00)82713-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
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