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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Normal alkane 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 |
|---|---|---|
| Active phase | CP Sil 8 CB | OV-101 |
| Column length (m) | 30. | 50. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 80. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 5. | 2. |
| Initial hold (min) | 5. | |
| Final hold (min) | ||
| I | 1537. | 1506. |
| Reference | Wang, Guo, et al., 2004 | Egolf and Jurs, 1993 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Wang, Guo, et al., 2004
Wang, H.; Guo, Y.; Zhang, Z.; An, D.,
Fast analysis of volatile compounds in natural essences by automatic Static-Headspace-GC-MS,
J. Instrum. Anal. (Chinese), 2004, 23, 1, 9-13. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Notes
Go To: Top, Normal alkane 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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