Pentyl phenylacetate
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
- IUPAC Standard InChIKey: LRVLBFSVAFUOGO-UHFFFAOYSA-N
- CAS Registry Number: 5137-52-0
- 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: Amyl phenylacetate; Benzeneacetic acid, pentyl ester; Acetic acid, phenyl-, pentyl ester; N-Amyl phenylacetate; Phenylacetic acid, pentyl ester
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- Other data available:
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Kovats' RI, non-polar column, isothermal
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 | Packed |
|---|---|---|---|
| Active phase | DB-1 | DB-5 | SE-30 |
| Column length (m) | 30. | 60. | 3.7 |
| Carrier gas | N2 | N2 | |
| Substrate | Chromosorb W AW DMCS | ||
| Column diameter (mm) | 0.256 | 0.321 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Temperature (C) | 160. | 160. | 200. |
| I | 1507.65 | 1529.29 | 1516. |
| Reference | Mijin and Antonovic, 2006 | Mijin and Antonovic, 2006 | Haken, Hartley, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G.,
The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M
. [all data]
Haken, Hartley, et al., 1983
Haken, J.K.; Hartley, H.N.T.; Srisukh, D.,
Retention increments of aromatic esters,
Chromatographia, 1983, 17, 11, 589-596, https://doi.org/10.1007/BF02261941
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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