1-Octen-3-yl-acetate
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChIKey: DOJDQRFOTHOBEK-UHFFFAOYSA-N
- CAS Registry Number: 2442-10-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Octen-3-ol, acetate; Amyl vinyl carbinol acetate; Amyl vinyl carbinyl acetate; 1-Pentylallyl acetate; 1-Octenyl-3-acetate; Oct-1-en-3-yl acetate; Octen-3-yl acetate; 1-Oct-3-enylacetate
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- Other data available:
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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 | DB-1 | DB-1 | CP Sil 8 CB | DB-1 | SE-52 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Hydrogen | Hydrogen | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1086. | 1086. | 1113. | 1086. | 1113. |
Reference | Mendes, Trindade, et al., 2009 | Mendes, Trindade, et al., 2009, 2 | Mockute, Bernotiene, et al., 2007 | Figueiredo A.C., Barroso J.G., et al., 2006 | Tognolini, Barocelli, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-5 | BP-5 | DB-1 | DB-1 | DB-5 |
Column length (m) | 25. | 25. | 30. | 30. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 0.25 | |
Program | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) | not specified |
I | 1115. | 1113. | 1086. | 1086. | 1110. |
Reference | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 | Figueiredo, Sim-Sim, et al., 2005 | Miguel, Simões, et al., 2004 | Vilaseca, Guy, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SE-30 | HP-5 | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 30. | |
Carrier gas | ||||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 1. | |
Program | not specified | not specified | 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min) | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
I | 1094. | 1105. | 1086. | 1100. |
Reference | Vinogradov, 2004 | Aparicio, Romero, et al., 2001 | Figueiredo, Miguel, et al., 2001 | Storer, Elmore, et al., 1993 |
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.
Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Pedro, L.G.; Barroso, J.G.,
Chaerophyllum azoricun Trel. grown in the Azores archipelago, Portugal: evaluation of the genetic diversity using molecular markers and comparison with volatile oils profiles,
Flavour Fragr. J., 2009, 24, 5, 259-265, https://doi.org/10.1002/ffj.1939
. [all data]
Mendes, Trindade, et al., 2009, 2
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]
Mockute, Bernotiene, et al., 2007
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
The essential oil of Ground Ivy (Glechoma hederaceae L.) growing wild in Eastern Lithuania,
J. Essent. Oil Res., 2007, 19, 5, 449-451, https://doi.org/10.1080/10412905.2007.9699948
. [all data]
Figueiredo A.C., Barroso J.G., et al., 2006
Figueiredo A.C.; Barroso J.G.; Pedro L.G.; Fontinha S.S.; Sim-Sim M.; Sergio C.; Luis L.; Scheffers J.J.C.,
Asterella africana (Mont.) A. Evans grown on Madeira and in mainland Portugal: morphological data and composition of the essential oil,
Flavour Fragr. J., 2006, 21, 3, 534-538, https://doi.org/10.1002/ffj.1611
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J.,
Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS),
J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012
. [all data]
Figueiredo, Sim-Sim, et al., 2005
Figueiredo, A.C.; Sim-Sim, M.; Costa, M.M.; Barroso, J.G.; Pedro, L.G.; Esquível, M.G.; Gutierres, F.; Lobo, C.; Fontinha, S.,
Comparison of the essential oil composition of four Plagiochila species: P. bifaria, P. maderensis, P. retrorsa and P. stricta,
Flavour Fragr. J., 2005, 20, 6, 703-709, https://doi.org/10.1002/ffj.1627
. [all data]
Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L.,
Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina,
Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031
. [all data]
Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A.,
Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils,
J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Aparicio, Romero, et al., 2001
Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.; Usubillaga, A.,
Composition of the essential oil of four species of Ruilopezia from the Venezuelan Andes,
Flavour Fragr. J., 2001, 16, 3, 172-174, https://doi.org/10.1002/ffj.973
. [all data]
Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G.,
Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases,
Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028
. [all data]
Storer, Elmore, et al., 1993
Storer, J.R.; Elmore, J.S.; van Emden, H.F.,
Airborne volatiles from the foliage of three cultivars of autumn flowering chrysanthemums,
Phytochemistry, 1993, 34, 6, 1489-1492, https://doi.org/10.1016/S0031-9422(00)90833-1
. [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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