Lavandulyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- 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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- Information on this page:
- Other data available:
- Options:
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 | HP-5 MS | Siloxane, 5 % Ph | Polydimethyl siloxane, 5 % phenyl | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Hydrogen | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified | not specified | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified |
I | 1291. | 1283. | 1283. | 1278. | 1298. |
Reference | Sharopov, Sulaimonova, et al., 2012 | VOC BinBase, 2012 | Skogerson, Wohlgemuth, et al., 2011 | Mendes, Trindade, et al., 2009 | Porto, Decorti, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | SE-30 | HP-5 | HP-5MS | |
Column length (m) | 50. | 30. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) | not specified | 40C(1min) => 5C/min => 180C => 10C/min => 220C(2min) | 40C(1min) => 5C/min => 220C => 10C/min => 240C(2min) |
I | 1266. | 1289. | 1276. | 1289. | 1289. |
Reference | El-Shazily, Hafez, et al., 2004 | Judpentienë and Mockutë, 2004 | Vinogradov, 2004 | Demyttenaere, Dagher, et al., 2003 | Demyttenaere, Dagher, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | CP Sil 5 CB | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | |||
Carrier gas | N2 | |||
Substrate | ||||
Column diameter (mm) | 0.25 | |||
Phase thickness (μm) | ||||
Program | not specified | not specified | not specified | not specified |
I | 1276. | 1289. | 1273. | 1274. |
Reference | Zenkevich, 1999 | Isidorov, Zenkevich, et al., 1997 | Weyerstahl, Marschall, et al., 1997 | Sagrero-Nieves and Bartley, 1995 |
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.
Sharopov, Sulaimonova, et al., 2012
Sharopov, F.S.; Sulaimonova, V.A.; Setzer, W.N.,
Composition of the essential oil of Ertemisia absinthium from Tajikistan,
Rec. Nat. Prod., 2012, 6, 2, 127-134. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G.,
Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens,
Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006
. [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]
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]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L.,
Chemija, 2004, 15, 28-32. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demyttenaere, Dagher, et al., 2003
Demyttenaere, J.C.R.; Dagher, C.; Sandra, P.; Kallithraka, S.; Verhé, R.; de Kimpe, N.,
Flavour analysis of Greek white wine by solid-phase microextraction-capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 985, 1-2, 233-246, https://doi.org/10.1016/S0021-9673(02)01467-X
. [all data]
Demyttenaere, Dagher, et al., 2002
Demyttenaere, J.C.R.; Dagher, C.; Verhé, R.; Sandra, P.,
Flavour analysis of Greek white wine using solid phase microextraction - capillary GC/MS
in 25th International Symposium on Capillary Chromatography, 2002, 1-16. [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]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [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]
Sagrero-Nieves and Bartley, 1995
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile Constituents from the Leaves of Chenopodium ambrosioides L.,
J. Essent. Oil Res., 1995, 7, 2, 221-223, https://doi.org/10.1080/10412905.1995.9698506
. [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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