Octanoic acid, 3-methylbutyl ester
- Formula: C13H26O2
- Molecular weight: 214.3443
- IUPAC Standard InChI: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
- IUPAC Standard InChIKey: XKWSWANXMRXDES-UHFFFAOYSA-N
- CAS Registry Number: 2035-99-6
- 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, isopentyl ester; Isoamyl caprylate; Isoamyl octanoate; n-Caprylic acid isoamyl ester; Isopentyl octanoate; iso-Amyl n-octanoate; 3-Methylbutyl octanoate; Octanoic acid, isoamyl ester
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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 | SE-54 | CP Sil 5 CB | DB-1 | DB-1 |
| Column length (m) | 50. | 25. | 60. | 60. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.21 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 80. | 60. | 30. | 30. |
| Tend (C) | 200. | 280. | 210. | 210. |
| Heat rate (K/min) | 2. | 5. | 2. | 2. |
| Initial hold (min) | 4. | 4. | ||
| Final hold (min) | ||||
| I | 1442. | 1433. | 1430. | 1435. |
| Reference | Janzanntti, Franco, et al., 2000 | Kaul and Vats, 1998 | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 |
| 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.
Janzanntti, Franco, et al., 2000
Janzanntti, N.S.; Franco, M.R.B.; Lanças, F.M.,
Identificação de compostos voláteis de maçãs (Malus domestica) cultivar fuji, por cromatografia gasosa-espectrometria de massas,
Cienc. Tecnol. Aliment., 2000, 20, 2, 164-171, retrieved from http://www.scielo.br/scielo.php?script=sciarttextpid=S0101-20612000000200007lng=ptnrm=iso. [all data]
Kaul and Vats, 1998
Kaul, V.K.; Vats, S.K.,
Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses,
Biochem. Syst. Ecol., 1998, 26, 3, 347-356, https://doi.org/10.1016/S0305-1978(97)00103-8
. [all data]
Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A.,
Volatile constituents of Asian pear (Pyrus serotina),
J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040
. [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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