Acetic acid, phenyl-, isopentyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
- IUPAC Standard InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N
- CAS Registry Number: 102-19-2
- 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: Benzeneacetic acid, 3-methylbutyl ester; Isoamyl phenylacetate; Isopentyl phenylacetate; Phenylacetic acid, isopentyl ester; Phenylacetic acid isoamyl ester; Isopentyl alcohol, phenylacetate; Phenylacetic acid, 3-methylbutyl ester; 3-Methylbutyl phenylacetate; NSC 60582
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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 | RTX-5 | HP-5 |
| Column length (m) | 30. | 50. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.05 |
| Tstart (C) | 40. | 50. |
| Tend (C) | 300. | 290. |
| Heat rate (K/min) | 5. | 2. |
| Initial hold (min) | 2. | |
| Final hold (min) | 10. | |
| I | 1471.7 | 1503. |
| Reference | Ádámová, Orinák, et al., 2005 | David, Scanlan, et al., 2000 |
| 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.
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P.,
Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [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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