Acetic acid, octyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
- IUPAC Standard InChIKey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
- CAS Registry Number: 112-14-1
- 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: n-Octyl acetate; Caprylyl acetate; Octyl acetate; Octyl alcohol acetate; 1-Octyl acetate; Acetic acid n-octyl ester; n-Octanyl acetate; n-Octyl ethanoate; Acetate C-8; 1-Octanol acetate; NSC 67348; Octanol acetate
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Van Den Dool and Kratz RI, 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 |
|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | Stabilwax | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.3 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min) |
| I | 1478. | 1474. | 1491. | 1480. |
| Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Klesk and Qian, 2003 | da Porto, Pizzale, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
da Porto, Pizzale, et al., 2003
da Porto, C.; Pizzale, L.; Bravin, M.; Conte, L.S.,
Analyses of orange spirit flavour by direct-injection gas chromatography-mass spectrometry and headspace solid-phase microextraction/GC-MC,
Flavour Fragr. J., 2003, 18, 1, 66-72, https://doi.org/10.1002/ffj.1164
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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