Butanoic acid, 2-methylpropyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: RGFNRWTWDWVHDD-UHFFFAOYSA-N
- CAS Registry Number: 539-90-2
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Other names: Butyric acid, isobutyl ester; Isobutyl butyrate; Isobutyl n-butyrate; 2-Methylpropyl butyrate; n-Butyric acid isobutyl ester; Isobutyl butanoate; Isobutyl ester of butanoic acid; 2-Methylpropyl butanoate; NSC 406938; Butanoic acid, methyl propyl ester
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Normal alkane 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 | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 50. | 50. |
| Tend (C) | 250. | 250. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 4. | 3. | 3. | 5. |
| Initial hold (min) | 5. | 2. | 5. | 5. | 3. |
| Final hold (min) | 20. | 5. | |||
| I | 961. | 938. | 935. | 935. | 935. |
| Reference | Cao, Li, et al., 2011 | Fan and Qian, 2005 | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | OV-1 |
| Column length (m) | 30. | 50. |
| Carrier gas | He | H2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.52 |
| Tstart (C) | 50. | 30. |
| Tend (C) | 240. | |
| Heat rate (K/min) | 5. | 1. |
| Initial hold (min) | 3. | |
| Final hold (min) | ||
| I | 939. | 939. |
| Reference | Shiota, 1993 | Guan, Zheng, et al., 1992 |
| 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.
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [all data]
Guan, Zheng, et al., 1992
Guan, Y.; Zheng, P.; Zhou, L.,
Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatography,
J. Hi. Res. Chromatogr., 1992, 15, 1, 18-23, https://doi.org/10.1002/jhrc.1240150106
. [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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