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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- Other data available:
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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 | ZB-1 | DB-5 |
| Column length (m) | 30. | 50. |
| Carrier gas | Nitrogen | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 45. | 50. |
| Tend (C) | 230. | 220. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | 2. | |
| Final hold (min) | ||
| I | 1460. | 1490. |
| Reference | Mierendorff, Stahl-Biskup, et al., 2008 | Masotti, Juteau, et al., 2003 |
| 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.
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Masotti, Juteau, et al., 2003
Masotti, V.; Juteau, F.; Bessière, J.M.; Viano, J.,
Seasonal and phenological variations of the essential oil from the narrow endemic species Artemisia molinieri and its biological activities,
J. Agric. Food Chem., 2003, 51, 24, 7115-7121, https://doi.org/10.1021/jf034621y
. [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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