Benzoic acid, 2-phenylethyl ester
- Formula: C15H14O2
- Molecular weight: 226.2705
- IUPAC Standard InChI: InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
- IUPAC Standard InChIKey: OSORMYZMWHVFOZ-UHFFFAOYSA-N
- CAS Registry Number: 94-47-3
- 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: Benzoic acid, phenethyl ester; β-Phenylethyl benzoate; Benzylcarbinyl benzoate; Phenethyl alcohol, benzoate; Phenethyl benzoate; Phenylethyl benzoate; 2-Phenylethyl benzoate; β-Phenethyl benzoate; 2-Fenylethylester kyseliny benzoove
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Van Den Dool and Kratz RI, non-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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | BP-1 | DB-1 | SE-30 |
| Column length (m) | 25. | 30. | 30. | 60. | 25. |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.33 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 50. | 100. |
| Tend (C) | 200. | 250. | 220. | 250. | |
| Heat rate (K/min) | 2. | 4. | 5. | 3.5 | 6. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 60. | 20. | 13. | ||
| I | 1860. | 1859. | 1848. | 1829. | 1815. |
| Reference | Rout, Rao, et al., 2007 | Pino, Marbot, et al., 2004 | Raina, Kumar, et al., 2004 | Stashenko, Prada, et al., 1996 | Korhonen, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-30 |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.33 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | |
| Heat rate (K/min) | 10. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1828. |
| Reference | Korhonen, 1986 |
| Comment | 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.
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
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]
Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P.,
Essential oil composition of 'kewda' (Pandanus odoratissimus) from India,
Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 363, 277-292. [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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