n-Caprylic acid isobutyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChI: InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
- IUPAC Standard InChIKey: CFQRBRGFNFRMBD-UHFFFAOYSA-N
- CAS Registry Number: 5461-06-3
- 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: Octanoic acid, 2-methylpropyl ester; iso-Butyl caprylate; Octanoic acid, isobutyl ester; iso-Butyl n-octanoate; Isobutyl octanoate; 2-Methylpropyl octanoate
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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 |
|---|---|---|
| Active phase | RTX-5 | CP Sil 5 CB |
| Column length (m) | 10. | 50. |
| Carrier gas | He | H2 |
| Substrate | ||
| Column diameter (mm) | 0.18 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.15 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 275. | 300. |
| Heat rate (K/min) | 50. | 4. |
| Initial hold (min) | 0.5 | 3. |
| Final hold (min) | 0.5 | |
| I | 1348. | 1348. |
| Reference | Setkova, Risticevic, et al., 2007 | Heinrich, Pfeifhofer, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction I. Method development and optimization,
J. Chromatogr. A, 2007, 1147, 2, 213-223, https://doi.org/10.1016/j.chroma.2007.02.058
. [all data]
Heinrich, Pfeifhofer, et al., 2002
Heinrich, G.; Pfeifhofer, H.W.; Stabentheiner, E.; Sawidis, T.,
Glandular hairs of Sigesbeckia jorullensis Kunth (Asteraceae): morphology, histochemistry and composition of essential oil,
Ann. Bot. Rome, 2002, 89, 4, 459-469, retrieved from http://www.aob.oupjournals.org, https://doi.org/10.1093/aob/mcf062
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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