β-Phenylethyl butyrate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
- IUPAC Standard InChIKey: WFNDDSQUKATKNX-UHFFFAOYSA-N
- CAS Registry Number: 103-52-6
- 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. - Other names: Butanoic acid, 2-phenylethyl ester; Benzylcarbinyl butyrate; Butyric acid, phenethyl ester; Phenethyl butyrate; Phenylethyl butyrate; 2-Phenylethyl butanoate; 2-Phenylethyl butyrate; 2-Phenethyl butanoate; β-Phenethyl n-butanoate; β-Phenylethyl n-butyrate; Phenethyl butanoate
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Van Den Dool and Kratz 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 |
|---|---|---|
| Active phase | HP-5MS | SE-30 |
| Column length (m) | 30. | 22. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.30 |
| Phase thickness (μm) | 0.25 | 1.0 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 4. | 2. |
| Initial hold (min) | 2. | |
| Final hold (min) | 20. | |
| I | 1440. | 1446. |
| Reference | Pino, Mesa, et al., 2005 | de Frutos, Sanz, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I.,
Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction,
J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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