Propanoic acid, 2-methyl-, 3-methylbutyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
- IUPAC Standard InChIKey: VFTGLSWXJMRZNB-UHFFFAOYSA-N
- CAS Registry Number: 2050-01-3
- 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: Isobutyric acid, isopentyl ester; iso-Amyl iso-butyrate; 3-Methylbutyl 2-methylpropanoate; 3-Methylbutyl isobutyrate; Isoamyl isobutanoate; Isopentyl isobutanoate; Isoamyl 2-methylpropanoate; Isopentyl alcohol, isobutyrate; 3-Methyl-1-butyl isobutyrate; Isopentyl isobutyrate; Isopentyl 2-methylpropanoate
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Normal alkane RI, 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 | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax CB | CP-Wax 52CB | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 30. | 60. | 80. |
| Carrier gas | Helium | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | |
| Phase thickness (μm) | 0.25 | 0.32 | 0.5 | 0.25 | |
| Tstart (C) | 50. | 50. | 50. | 40. | 70. |
| Tend (C) | 150. | 220. | 200. | 200. | 170. |
| Heat rate (K/min) | 2. | 6. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 10. | |||
| Final hold (min) | 5. | 20. | 10. | ||
| I | 1194. | 1183. | 1234. | 1183. | 1187. |
| Reference | Alves, da Penha, et al., 2012 | Audino, Alzogaray, et al., 2007 | Alves and Franco, 2003 | Wei, Mura, et al., 2001 | Anker, Jurs, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS.,
Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka,
Nat. Prod. J., 2012, 5, 55-60. [all data]
Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E.,
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds,
Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2
. [all data]
Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5
. [all data]
Wei, Mura, et al., 2001
Wei, A.; Mura, K.; Shibamoto, T.,
Antioxidative activity of volatile chemicals extracted from beer,
J. Agric. Food Chem., 2001, 49, 8, 4097-4101, https://doi.org/10.1021/jf010325e
. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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