3-Octanol, acetate
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChIKey: STZUZYMKSMSTOU-UHFFFAOYSA-N
- CAS Registry Number: 4864-61-3
- 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: 3-Octyl acetate; Acetic acid, 1-ethylhexyl ester; 3-Octanyl acetate; Octan-3-ol acetate; octan-3-yl acetate; Amyl ethyl carbinyl acetate; 3-Octanol, 3-acetate; 1-Ethylhexyl acetate; 50373-56-3; 3-Acetoxy octane
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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 | DB-5 MS | SPB-1 | BP-5 | BP-5 |
Column length (m) | 60. | 30. | 50. | 25. | 25. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.50 |
Program | not specified | not specified | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | not specified |
I | 1103. | 1123. | 1110. | 1125. | 1123. |
Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Su, Wang, et al., 2009 | Díaz-Maroto, Castillo, et al., 2007 | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-1 |
Column length (m) | 35. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.50 |
Phase thickness (μm) | 1.5 |
Program | not specified |
I | 1110. |
Reference | De Pooter and Schamp, 1987 |
Comment | 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S.,
Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants,
Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766
. [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]
De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
Flavour Fragr. J., 1987, 2, 4, 163-165, https://doi.org/10.1002/ffj.2730020405
. [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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