Pentadecanoic acid, 3-methylbutyl ester
- Formula: C15H30O2
- Molecular weight: 242.3975
- IUPAC Standard InChI: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
- IUPAC Standard InChIKey: XDOGFYDZGUDBQY-UHFFFAOYSA-N
- CAS Registry Number: 2306-91-4
- 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: iso-Amyl n-decanoate; 3-Methylbuthyl ester of pentadecanoic acid; 3-Methylbutyl decanoate; Isoamyl decanoate; Isopentyl decanoate; 3-Methylbuthyl ester pentadecanoic acid
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- Other data available:
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Normal alkane 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 | SPB-5 | OV-101 |
| Column length (m) | 30. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 1. |
| Tstart (C) | 40. | 100. |
| Tend (C) | 220. | 220. |
| Heat rate (K/min) | 5. | 1. |
| Initial hold (min) | 1. | 1. |
| Final hold (min) | 20. | |
| I | 1647. | 1627. |
| Reference | Ledauphin, Guichard, et al., 2003 | Camciuc, Bessière, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [all data]
Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A.,
Volatile components in okra seed coat,
Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8
. [all data]
Notes
Go To: Top, Normal alkane 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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