Propanoic acid, 2-methyl-, 2-phenylethyl ester
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- IUPAC Standard InChIKey: JDQVBGQWADMTAM-UHFFFAOYSA-N
- CAS Registry Number: 103-48-0
- 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, phenethyl ester; β-Phenylethyl isobutyrate; Benzylcarbinol isobutyrate; Benzylcarbinyl isobutyrate; Phenethyl isobutyrate; 2-Phenylethyl isobutyrate; Phenylethyl isobutyrate; 2-Phenylethyl 2-methylpropionate; 2-Phenylethyl isobutanoate; Phenethyl 2-methylpropanoate; Phenylethyl 2-methylpropanoate; Phenethyl 2-methylpropionate; 2-Phenylethyl 2-methylpropanoate
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- Other data available:
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Kovats' RI, 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 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 60. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.28 |
| Phase thickness (μm) | ||
| Tstart (C) | 35. | 70. |
| Tend (C) | 200. | 190. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 5. | |
| Final hold (min) | 20. | |
| I | 1883. | 1935. |
| Reference | Wong and Teng, 1994 | Tressl, Friese, et al., 1978 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer,
J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037
. [all data]
Notes
Go To: Top, Kovats' 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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