Propanoic acid, 2-methyl-, phenylmethyl ester
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- IUPAC Standard InChIKey: UIKJRDSCEYGECG-UHFFFAOYSA-N
- CAS Registry Number: 103-28-6
- 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. - Species with the same structure:
- Other names: Isobutyric acid, benzyl ester; Benzyl isobutanoate; Benzyl isobutyrate; Benzyl 2-methylpropionate; Benzylester kyseliny isomaselne; Benzyl 2-methylpropanoate
- Information on this page:
- Other data available:
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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 |
|---|---|---|---|
| Active phase | RTX-1 | ZB-5 | DB-1 |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 60. | 40. | 50. |
| Tend (C) | 230. | 250. | 250. |
| Heat rate (K/min) | 2. | 6. | 4. |
| Initial hold (min) | 7. | 0.1 | |
| Final hold (min) | 30. | 1. | 5. |
| I | 1269. | 1306. | 1269. |
| Reference | Dib, Djabou, et al., 2010 | Dötterl, Wolfe, et al., 2005 | Flath, Mon, et al., 1983 |
| Comment | MSDC-RI | 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.
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [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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