Benzeneacetic acid, 2-phenylethyl ester
- Formula: C16H16O2
- Molecular weight: 240.2970
- IUPAC Standard InChI: InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
- IUPAC Standard InChIKey: ZOZIRNMDEZKZHM-UHFFFAOYSA-N
- CAS Registry Number: 102-20-5
- 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: Acetic acid, phenyl-, phenethyl ester; β-Phenylethyl phenylacetate; Benzylcarbinyl α-toluate; Phenylacetic acid, phenethyl ester; Phenylethyl phenylacetate; 2-Phenylethyl phenylacetate; Phenethyl phenylacetate; Phenethyl α-toluate; 2-Phenylethyl α-toluate; Phenylacetic acid, 2-phenylethyl ester; NSC 6676; Phenethyl 2-phenylacetate
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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 |
|---|---|
| Active phase | SPB-5 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 2. |
| Final hold (min) | 20. |
| I | 1898. |
| Reference | Pino, Marbot, et al., 2004 |
| 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.
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]
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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