Propanoic acid, 2-phenylethyl ester
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- IUPAC Standard InChIKey: HVGZQCSMLUDISR-UHFFFAOYSA-N
- CAS Registry Number: 122-70-3
- 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: Propionic acid, phenethyl ester; Benzylcarbinyl propionate; Phenethyl alcohol, propionate; Phenethyl propionate; Phenylethyl propionate; β-Phenylethyl propionate; ENT 18544; Propionic acid, 2-phenylethyl ester; 2-Phenethyl propionate; 2-Phenylethyl propionate; Phenylethyl n-propionate; 2-Phenylethanol, propanoate; 2-Phenyl ethyl propanoate; Phenethyl propanoate; Phenylethyl propanoate; EcoPCO ACU; NSC 404457
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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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | HP-5 | HP-5MS | HP-5 | SE-30 |
| Column length (m) | 30. | 30. | 30. | 30. | 22. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1.0 |
| Tstart (C) | 60. | 40. | 60. | 50. | 60. |
| Tend (C) | 250. | 240. | 280. | 280. | 250. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 2. |
| Initial hold (min) | 2. | 5. | 5. | ||
| Final hold (min) | 20. | ||||
| I | 1350. | 1353. | 1350. | 1349. | 1309. |
| Reference | Pino, Marbot, et al., 2004 | Shellie and Marriott, 2003 | Skaltsa, Mavrommati, et al., 2001 | Skaltsa, Lazari, et al., 2000 | de Frutos, Sanz, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T.,
Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece,
Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F
. [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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