3-Octanol, acetate
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
- 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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Kovats' 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 |
|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | OV-101 | OV-101 |
| Column length (m) | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.23 | 0.23 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 40. | 80. | 80. |
| Tend (C) | 250. | 250. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 5. | ||
| Final hold (min) | 20. | 20. | ||
| I | 1102. | 1102. | 1110. | 1110. |
| Reference | Senatore, Urrunaga Soria, et al., 1998 | Senatore, 1998 | Ohnishi and Shibamoto, 1984 | Ohnishi and Shibamoto, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Senatore, Urrunaga Soria, et al., 1998
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; de Feo, V.,
Essential oil from two peruvian Satureja species,
Flavour Fragr. J., 1998, 13, 1, 1-4, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<1::AID-FFJ672>3.0.CO;2-4
. [all data]
Senatore, 1998
Senatore, F.,
Volatile constituents of Minthostachys setosa (Briq.) Epl. (Lamiaceae) from Peru,
Flavour Fragr. J., 1998, 13, 4, 263-265, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<263::AID-FFJ738>3.0.CO;2-H
. [all data]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [all data]
Notes
Go To: Top, Kovats' 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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